5282252
  -OEChem-05042400382D

 30 32  0     0  0  0  0  0  0999 V2000
    2.0000   -0.0092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -2.0092    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.9939   -0.5092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2944   -1.9707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5836    0.7955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -1.0092    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.2729   -1.7645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3958    0.9908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3798    2.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.4908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2778    2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1719    0.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1799    2.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5298    0.4908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5298   -0.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3958   -1.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5836   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1618    2.6127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7706    1.9168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6751    3.0360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8769    3.0329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3764    0.4123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7835    1.0990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7899    1.9284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3935    2.6213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3958   -1.6292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6870   -2.2260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1018   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2  6  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4 30  1  0  0  0  0
  5 14  2  0  0  0  0
  5 19  1  0  0  0  0
  6 15  1  0  0  0  0
  7 18  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
M  CHG  2   2  -1   6   1
M  END
> <PUBCHEM_COMPOUND_CID>
5282252

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
619

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOAAAAAAAAAAAAAAAAAAAAQAAAAAgQAAAAAAAAECAAAAAHgAUCAAADAiBgAAAAAJQQACpAyVyVwCAAAAgAgAgCACgAFgIQAIAgAAAAAAAgAAIgQMQgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(hydroxyamino)-5-nitro-6,7,8,9-tetrahydrobenzo[g]indol-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-(hydroxyamino)-5-nitro-6,7,8,9-tetrahydrobenzo[g]indol-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(hydroxyamino)-5-nitro-6,7,8,9-tetrahydrobenzo[g]indol-2-one

> <PUBCHEM_IUPAC_NAME>
3-(hydroxyamino)-5-nitro-6,7,8,9-tetrahydrobenzo[g]indol-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-nitro-3-(oxidanylamino)-6,7,8,9-tetrahydrobenzo[g]indol-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(hydroxyamino)-5-nitro-6,7,8,9-tetrahydrobenz[g]indol-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H11N3O4/c16-12-11(14-17)8-5-9(15(18)19)6-3-1-2-4-7(6)10(8)13-12/h5,17H,1-4H2,(H,13,14,16)

> <PUBCHEM_IUPAC_INCHIKEY>
SCDBMLHUXJBJSS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.6

> <PUBCHEM_EXACT_MASS>
261.07495584

> <PUBCHEM_MOLECULAR_FORMULA>
C12H11N3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
261.23

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC2=C(C1)C(=CC3=C(C(=O)N=C23)NO)[N+](=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC2=C(C1)C(=CC3=C(C(=O)N=C23)NO)[N+](=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
108

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
261.07495584

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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  15  8
14  16  8
15  17  8
16  17  8
8  10  8
8  14  8

$$$$