13976
  -OEChem-04262416192D

 36 40  0     0  0  0  0  0  0999 V2000
    4.7926    2.0346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2894   -2.0346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7810   -1.0347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3010    1.0347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4070   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4070    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5410    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5410   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8749    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2070   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8749   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2070    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7810    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3010   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9438    1.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1382   -1.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9438   -1.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1382    1.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0820   -0.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0820    0.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5410    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5410   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7882   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2938    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9510    1.6977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1310   -1.6977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9510   -1.6977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1310    1.6977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.8546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6177   -0.8546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.8546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6177    0.8546    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
  3 13  1  0  0  0  0
  3 27  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  4 28  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  6 16  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 11 17  2  0  0  0  0
 12 14  1  0  0  0  0
 12 16  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  2  0  0  0  0
 14 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 29  1  0  0  0  0
 18 22  1  0  0  0  0
 18 30  1  0  0  0  0
 19 23  1  0  0  0  0
 19 31  1  0  0  0  0
 20 24  1  0  0  0  0
 20 32  1  0  0  0  0
 21 23  2  0  0  0  0
 21 33  1  0  0  0  0
 22 24  2  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
 24 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
13976

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
500

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8eMECAAAAAACxUAAAHgAQAAAADAyBmAAwwILAAACIAqRSQACCAAAlAgAIiAEAZMgIIHrAlZGEIYhgkADIyccciMCOQACAQAACAACAAQCAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione

> <PUBCHEM_IUPAC_CAS_NAME>
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione

> <PUBCHEM_IUPAC_NAME>
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5,12-dihydroquinolin[2,3-b]acridine-7,14-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H12N2O2/c23-19-11-5-1-3-7-15(11)21-17-10-14-18(9-13(17)19)22-16-8-4-2-6-12(16)20(14)24/h1-10H,(H,21,23)(H,22,24)

> <PUBCHEM_IUPAC_INCHIKEY>
NRCMAYZCPIVABH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
312.089877630

> <PUBCHEM_MOLECULAR_FORMULA>
C20H12N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
312.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C(=O)C3=CC4=C(C=C3N2)C(=O)C5=CC=CC=C5N4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C(=O)C3=CC4=C(C=C3N2)C(=O)C5=CC=CC=C5N4

> <PUBCHEM_CACTVS_TPSA>
58.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
312.089877630

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  13  8
11  15  8
11  17  8
12  14  8
12  16  8
12  18  8
13  19  8
14  20  8
17  21  8
18  22  8
19  23  8
20  24  8
21  23  8
22  24  8
3  13  8
3  7  8
4  14  8
4  8  8
5  15  8
5  7  8
5  9  8
6  10  8
6  16  8
6  8  8
7  10  8
8  9  8

$$$$