54713866
  -OEChem-05082409512D

 24 25  0     0  0  0  0  0  0999 V2000
    6.3981    1.8571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.1429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6704    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8718   -2.1671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.1429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -1.1671    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.5320   -0.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -1.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -1.7976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    1.5117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    0.6671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1963    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7781   -2.1429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.7629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0181   -2.1429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    2.1671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 24  1  0  0  0  0
  2 12  2  0  0  0  0
  3  6  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  5 16  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 13  2  0  0  0  0
  9 17  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
 11 18  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
M  CHG  2   3  -1   6   1
M  END
> <PUBCHEM_COMPOUND_CID>
54713866

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
360

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHgAECAAADAyBmAQywIMQQgCJAiVSUwCCAAAhIgAoiAAIbMoIJiLA0dGEcAhmxgHI2QeQ0CEOCAAAAAQCAAAQAAAACAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-hydroxy-1-methyl-7-nitro-quinolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
4-hydroxy-1-methyl-7-nitro-2-quinolinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-hydroxy-1-methyl-7-nitroquinolin-2-one

> <PUBCHEM_IUPAC_NAME>
4-hydroxy-1-methyl-7-nitroquinolin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-methyl-7-nitro-4-oxidanyl-quinolin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-hydroxy-1-methyl-7-nitro-carbostyril

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H8N2O4/c1-11-8-4-6(12(15)16)2-3-7(8)9(13)5-10(11)14/h2-5,13H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
GBBVXOAHXLPVCQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.7

> <PUBCHEM_EXACT_MASS>
220.04840674

> <PUBCHEM_MOLECULAR_FORMULA>
C10H8N2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
220.18

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=CC1=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=CC1=O)O

> <PUBCHEM_CACTVS_TPSA>
86.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
220.04840674

> <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>
0

> <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>
10  14  8
11  15  8
12  14  8
13  15  8
5  12  8
5  7  8
7  8  8
7  9  8
8  10  8
8  11  8
9  13  8

$$$$