5323714
 OpenBabel05082101102D

 23 24  0  0  0  0  0  0  0  0999 V2000
    9.2665   -0.5210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032   -0.2088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6787   -1.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7391    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5352   -0.9082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9575    0.4301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0064    0.7391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431    0.0699    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.7665    1.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5755    0.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2665   -0.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122    0.3790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633    0.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0032    1.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    0.3790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0032    1.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1814    1.4786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3516    1.4786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1419    0.1779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8855    0.9670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3922   -0.5365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3676    1.8316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6388    1.8316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 15  1  0  0  0  0
  3 11  2  0  0  0  0
  4  8  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 13  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 16  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  2  0  0  0  0
 16 23  1  0  0  0  0
M  CHG  2   4  -1   8   1
M  END
>  <PUBCHEM_COMPOUND_CID>
5323714

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
326

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBzOAAAAAAAAAAAAAAAAAAAAWJAAAAAAAAAAAAAAAABgAAAHgAMAAAACAThkAYwjIIQRECpALFzWwSSCAAsIgA6iAEubNoOJrKEtZuLGSDkzhEY6Ya8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[(E)-(5-nitro-2-furyl)methyleneamino]oxazolidin-2-one

>  <PUBCHEM_IUPAC_CAS_NAME>
3-[(E)-(5-nitro-2-furanyl)methylideneamino]-2-oxazolidinone

>  <PUBCHEM_IUPAC_NAME_MARKUP>
3-[(<I>E</I>)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one

>  <PUBCHEM_IUPAC_NAME>
3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-[(E)-(5-nitro-2-furyl)methyleneamino]oxazolidin-2-one

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2/b9-5+

>  <PUBCHEM_IUPAC_INCHIKEY>
PLHJDBGFXBMTGZ-WEVVVXLNSA-N

>  <PUBCHEM_XLOGP3>
-0.1

>  <PUBCHEM_EXACT_MASS>
225.03857

>  <PUBCHEM_MOLECULAR_FORMULA>
C8H7N3O5

>  <PUBCHEM_MOLECULAR_WEIGHT>
225.16

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1COC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1COC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-]

>  <PUBCHEM_CACTVS_TPSA>
101

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
225.03857

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
16

>  <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>
12  14  8
14  16  8
15  16  8
2  12  8
2  15  8

$$$$
