6604200
 OpenBabel05082101102D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.2733    1.3810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8606   -4.0546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7084   -1.9855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    4.0546    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000    3.0366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483   -1.7068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4483   -3.2456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483   -0.7068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    3.1411    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.1393   -2.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4483   -3.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7574   -2.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823    0.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -0.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8913    1.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    2.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5823    2.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8293   -1.7576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5729   -2.5467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8128   -3.7472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5454   -0.5168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4810    1.1894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9467    2.8337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 16  1  0  0  0  0
  2 11  2  0  0  0  0
  3 12  2  0  0  0  0
  4  9  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 20  1  0  0  0  0
  8 14  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 21  1  0  0  0  0
 15 17  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  2  0  0  0  0
 17 23  1  0  0  0  0
M  CHG  2   4  -1   9   1
M  END
>  <PUBCHEM_COMPOUND_CID>
6604200

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
390

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBzuAAAAAAAAAAAAAAAAAAAAWJAAAAAAAAAAAAAAAABgAAAHgAcAAAACATBkAQxhILQRECpALFzUwSSCAAsIgA+iAGubNqMZrKEtbuaGSD83zMI6Ya8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[(E)-(5-nitro-2-furyl)methyleneamino]imidazolidine-2,4-dione

>  <PUBCHEM_IUPAC_CAS_NAME>
1-[(E)-(5-nitro-2-furanyl)methylideneamino]imidazolidine-2,4-dione

>  <PUBCHEM_IUPAC_NAME_MARKUP>
1-[(<I>E</I>)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione

>  <PUBCHEM_IUPAC_NAME>
1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[(E)-(5-nitro-2-furyl)methyleneamino]hydantoin

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+

>  <PUBCHEM_IUPAC_INCHIKEY>
NXFQHRVNIOXGAQ-YCRREMRBSA-N

>  <PUBCHEM_XLOGP3>
-0.5

>  <PUBCHEM_EXACT_MASS>
238.033819

>  <PUBCHEM_MOLECULAR_FORMULA>
C8H6N4O5

>  <PUBCHEM_MOLECULAR_WEIGHT>
238.16

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-]

>  <PUBCHEM_CACTVS_TPSA>
121

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
238.033819

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
17

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
1  13  8
1  16  8
13  15  8
15  17  8
16  17  8

$$$$
