50941095
  -OEChem-04252407282D

 33 35  0     0  0  0  0  0  0999 V2000
    6.3981   -2.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    3.3100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.5321    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.3100    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -2.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -3.3446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.0354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8612    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -2.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.8571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  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 11  1  0  0  0  0
  4 23  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8 14  2  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 19  2  0  0  0  0
 12 17  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  2  0  0  0  0
 13 25  1  0  0  0  0
 14 18  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 20  2  0  0  0  0
 17 18  2  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
 19 21  1  0  0  0  0
 19 30  1  0  0  0  0
 20 22  1  0  0  0  0
 20 31  1  0  0  0  0
 21 22  2  0  0  0  0
 21 32  1  0  0  0  0
 22 33  1  0  0  0  0
M  CHG  2   2  -1   6   1
M  END
> <PUBCHEM_COMPOUND_CID>
50941095

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
509

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAUAAAADAiBmAAwwILQQACpAyVyVwCCAAAhAgAoiAEQdJoIYCLAkZGUIAhglADIyAcQgAAOAAAAAAACACAAAAAAAAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[(E)-2-(2-nitrophenyl)vinyl]-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-[(E)-2-(2-nitrophenyl)ethenyl]-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[(<I>E</I>)-2-(2-nitrophenyl)ethenyl]-1<I>H</I>-quinoxalin-2-one

> <PUBCHEM_IUPAC_NAME>
3-[(E)-2-(2-nitrophenyl)ethenyl]-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[(E)-2-(2-nitrophenyl)ethenyl]-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-[(E)-2-(2-nitrophenyl)vinyl]-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H11N3O3/c20-16-14(17-12-6-2-3-7-13(12)18-16)10-9-11-5-1-4-8-15(11)19(21)22/h1-10H,(H,18,20)/b10-9+

> <PUBCHEM_IUPAC_INCHIKEY>
LNLKENDSHKLDKZ-MDZDMXLPSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
293.08004122

> <PUBCHEM_MOLECULAR_FORMULA>
C16H11N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
293.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C(=C1)C=CC2=NC3=CC=CC=C3NC2=O)[N+](=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C(=C1)/C=C/C2=NC3=CC=CC=C3NC2=O)[N+](=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
87.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
293.08004122

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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>
10  16  8
10  19  8
12  17  8
14  18  8
16  20  8
17  18  8
19  21  8
20  22  8
21  22  8
4  11  8
4  7  8
5  8  8
5  9  8
7  12  8
7  8  8
8  14  8
9  11  8

$$$$