3721046
  -OEChem-04262411272D

 21 22  0     0  0  0  0  0  0999 V2000
    8.1301   -0.7979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.2021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718   -1.8221    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.7979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.2021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -0.8221    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0038    1.7296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -0.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    0.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -0.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    1.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    1.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -1.4526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    1.8567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.4179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.8221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 16  2  0  0  0  0
  3  7  1  0  0  0  0
  4  7  2  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  0  0  0  0
  5 20  1  0  0  0  0
  6 10  1  0  0  0  0
  6 16  1  0  0  0  0
  6 21  1  0  0  0  0
  7 13  1  0  0  0  0
  8 17  3  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 18  1  0  0  0  0
 12 14  2  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
M  CHG  2   3  -1   7   1
M  END
> <PUBCHEM_COMPOUND_CID>
3721046

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
434

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBzuAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACxAAAAHgAUAAAADAiBmAAwwILQQACZBiVSUwCiAAAhAgAgiACAdIoI4CLA0PGUIAhglADIyA8QgAAOCACAQAQCACAQAQCACAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-nitro-2,3-dioxo-1,4-dihydroquinoxaline-6-carbonitrile

> <PUBCHEM_IUPAC_CAS_NAME>
7-nitro-2,3-dioxo-1,4-dihydroquinoxaline-6-carbonitrile

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-nitro-2,3-dioxo-1,4-dihydroquinoxaline-6-carbonitrile

> <PUBCHEM_IUPAC_NAME>
7-nitro-2,3-dioxo-1,4-dihydroquinoxaline-6-carbonitrile

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxaline-6-carbonitrile

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,3-diketo-7-nitro-1,4-dihydroquinoxaline-6-carbonitrile

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H4N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H,11,14)(H,12,15)

> <PUBCHEM_IUPAC_INCHIKEY>
RPXVIAFEQBNEAX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0

> <PUBCHEM_EXACT_MASS>
232.02325462

> <PUBCHEM_MOLECULAR_FORMULA>
C9H4N4O4

> <PUBCHEM_MOLECULAR_WEIGHT>
232.15

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=C(C(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-])C#N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=C(C(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-])C#N

> <PUBCHEM_CACTVS_TPSA>
128

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
232.02325462

> <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>
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  12  8
11  13  8
12  14  8
13  14  8
15  16  8
5  15  8
5  9  8
6  10  8
6  16  8
9  10  8
9  11  8

$$$$