9606254
  -OEChem-05251307512D

 46 49  0     0  0  0  0  0  0999 V2000
    4.6660   -4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2641    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -1.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -3.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -3.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4540    0.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0555   -0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.8454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -0.8454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -4.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -4.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.6671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -1.6671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -3.3329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -3.3329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8612    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7272    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 21  2  0  0  0  0
  3  8  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 41  1  0  0  0  0
  7 25  2  0  0  0  0
  8 26  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  2  0  0  0  0
 10 12  1  0  0  0  0
 10 16  2  0  0  0  0
 11 14  1  0  0  0  0
 11 17  2  0  0  0  0
 12 14  1  0  0  0  0
 12 18  2  0  0  0  0
 13 21  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 15 20  1  0  0  0  0
 15 34  1  0  0  0  0
 16 19  1  0  0  0  0
 16 33  1  0  0  0  0
 17 22  1  0  0  0  0
 17 36  1  0  0  0  0
 18 23  1  0  0  0  0
 18 35  1  0  0  0  0
 19 23  2  0  0  0  0
 19 37  1  0  0  0  0
 20 22  2  0  0  0  0
 20 38  1  0  0  0  0
 22 40  1  0  0  0  0
 23 39  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 42  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 43  1  0  0  0  0
 28 30  1  0  0  0  0
 28 44  1  0  0  0  0
 29 30  2  0  0  0  0
 29 45  1  0  0  0  0
 30 46  1  0  0  0  0
M  CHG  2   3  -1   8   1
M  END
> <PUBCHEM_COMPOUND_CID>
9606254

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
665

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAACxUAAAHgAcAAAADAzBmAQwwINyQACpArVzUwCSAAAlAgA6iAGoZNoIYPrAlbGUIYhgmADIyccYiMCOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(E)-(2-nitrophenyl)methyleneamino]-2-(9-oxoacridin-10-yl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(E)-(2-nitrophenyl)methylideneamino]-2-(9-oxo-10-acridinyl)acetamide

> <PUBCHEM_IUPAC_NAME>
N-[(E)-(2-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(E)-(2-nitrophenyl)methylideneamino]-2-(9-oxidanylideneacridin-10-yl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(9-ketoacridin-10-yl)-N-[(E)-(2-nitrobenzylidene)amino]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H16N4O4/c27-21(24-23-13-15-7-1-4-10-18(15)26(29)30)14-25-19-11-5-2-8-16(19)22(28)17-9-3-6-12-20(17)25/h1-13H,14H2,(H,24,27)/b23-13+

> <PUBCHEM_IUPAC_INCHIKEY>
OBQKCTQTFNYJCM-YDZHTSKRSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
400.117155

> <PUBCHEM_MOLECULAR_FORMULA>
C22H16N4O4

> <PUBCHEM_MOLECULAR_WEIGHT>
400.38684

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C(=C1)C=NNC(=O)CN2C3=CC=CC=C3C(=O)C4=CC=CC=C42)[N+](=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C(=C1)/C=N/NC(=O)CN2C3=CC=CC=C3C(=O)C4=CC=CC=C42)[N+](=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
108

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
400.117155

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
10  16  8
11  14  8
11  17  8
12  14  8
12  18  8
15  20  8
16  19  8
17  22  8
18  23  8
19  23  8
20  22  8
24  26  8
24  27  8
26  28  8
27  29  8
28  30  8
29  30  8
5  10  8
5  9  8
9  11  8
9  15  8

$$$$