70698646
  -OEChem-05142410282D

 32 35  0     0  0  0  0  0  0999 V2000
    2.8660   -3.7846    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2022    1.2154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7846    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7858    2.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7858    0.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5820    3.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3741    2.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4800    3.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821    3.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5932    2.6094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5932   -0.1787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0415    3.5606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9074    1.9060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.9746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.9746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4777    4.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9203    3.5717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.5946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 12  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 12  2  0  0  0  0
  5 13  1  0  0  0  0
  6 20  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  2  0  0  0  0
  8 10  1  0  0  0  0
  8 14  2  0  0  0  0
  9 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 18  1  0  0  0  0
 14 25  1  0  0  0  0
 15 19  1  0  0  0  0
 15 26  1  0  0  0  0
 16 20  1  0  0  0  0
 16 27  1  0  0  0  0
 17 21  2  0  0  0  0
 17 28  1  0  0  0  0
 18 19  2  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 21 31  1  0  0  0  0
 22 32  1  0  0  0  0
M  CHG  2   1  -1   6   1
M  END
> <PUBCHEM_COMPOUND_CID>
70698646

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
427

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFix9AAAHAAEAAAADAjBHgQ90LccWAChAzRnZwCCgC0xEqAp2CA4dJqIaOLA2dGUJAhogALIyCcQgIAOAAAAQAAAACAAAACAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(3-nitrophenyl)imidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_CAS_NAME>
4-(3-nitrophenyl)imidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-(3-nitrophenyl)imidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_NAME>
4-(3-nitrophenyl)imidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(3-nitrophenyl)imidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(3-nitrophenyl)imidazo[1,5-a]quinoxaline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H10N4O2/c21-20(22)12-5-3-4-11(8-12)16-15-9-17-10-19(15)14-7-2-1-6-13(14)18-16/h1-10H

> <PUBCHEM_IUPAC_INCHIKEY>
KMOQTVWXBQQYMA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
290.08037557

> <PUBCHEM_MOLECULAR_FORMULA>
C16H10N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
290.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)N=C(C3=CN=CN23)C4=CC(=CC=C4)[N+](=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)N=C(C3=CN=CN23)C4=CC(=CC=C4)[N+](=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
76

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
290.08037557

> <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>
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
11  16  8
11  17  8
14  18  8
15  19  8
16  20  8
17  21  8
18  19  8
20  22  8
21  22  8
3  12  8
3  7  8
3  8  8
4  10  8
4  9  8
5  12  8
5  13  8
7  13  8
7  9  8
8  10  8
8  14  8

$$$$