23354059
  -OEChem-05132403532D

 29 31  0     0  0  0  0  0  0999 V2000
    2.0000   -0.5619    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4864    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    1.4623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9215   -2.0823    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.6535   -2.0623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    1.4623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -0.5377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7817   -1.5723    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.6641    0.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    1.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -0.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -1.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -2.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -0.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -1.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    2.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    2.1169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7252   -1.8477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -2.6577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312   -0.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312   -1.8477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 13  2  0  0  0  0
  4  8  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  6 23  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 24  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 18 20  1  0  0  0  0
 18 25  1  0  0  0  0
 19 21  2  0  0  0  0
 19 26  1  0  0  0  0
 20 22  2  0  0  0  0
 20 27  1  0  0  0  0
 21 22  1  0  0  0  0
 21 28  1  0  0  0  0
 22 29  1  0  0  0  0
M  CHG  2   4  -1   8   1
M  END
> <PUBCHEM_COMPOUND_CID>
23354059

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
502

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBzMYAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHwAUAAAADAiBmAgwwILQQACpAyVyVwCCAAAhAgAoiAEgdJoIYLLA1dGUIAhglIDIyAcYiICOAAAAAAQAACAAAAAACAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6,7-difluoro-5-nitro-3-phenyl-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
6,7-difluoro-5-nitro-3-phenyl-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
6,7-difluoro-5-nitro-3-phenyl-1<I>H</I>-quinoxalin-2-one

> <PUBCHEM_IUPAC_NAME>
6,7-difluoro-5-nitro-3-phenyl-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6,7-bis(fluoranyl)-5-nitro-3-phenyl-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6,7-difluoro-5-nitro-3-phenyl-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H7F2N3O3/c15-8-6-9-12(13(10(8)16)19(21)22)18-11(14(20)17-9)7-4-2-1-3-5-7/h1-6H,(H,17,20)

> <PUBCHEM_IUPAC_INCHIKEY>
IKCXLHDEQFKFBG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
303.04554742

> <PUBCHEM_MOLECULAR_FORMULA>
C14H7F2N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
303.22

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

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

> <PUBCHEM_CACTVS_TPSA>
87.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
303.04554742

> <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  12  8
11  13  8
12  16  8
14  17  8
15  18  8
15  19  8
16  17  8
18  20  8
19  21  8
20  22  8
21  22  8
6  13  8
6  9  8
7  10  8
7  11  8
9  10  8
9  14  8

$$$$