5720319
  -OEChem-05082403592D

 33 35  0     0  0  0  0  0  0999 V2000
    4.5981   -0.5173    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0173    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5173    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    1.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    4.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    3.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    1.3280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    4.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    3.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    2.1498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    3.8156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 14  2  0  0  0  0
  3  7  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  5 30  1  0  0  0  0
  6 10  2  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 17  1  0  0  0  0
 11 24  1  0  0  0  0
 12 15  2  0  0  0  0
 12 25  1  0  0  0  0
 13 18  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 15 27  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 20 31  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 32  1  0  0  0  0
 23 33  1  0  0  0  0
M  CHG  2   3  -1   7   1
M  END
> <PUBCHEM_COMPOUND_CID>
5720319

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
543

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAEAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgIcAAAADA6BmCAwwIByQACpA6RyQwCSBAAgBwA4iAEgZtoIILKBl5GAIABgmAAIyYcYiICOgACAAAIQABAAAQAABCAAIAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1Z)-1-[(2-chloro-4-nitro-phenyl)hydrazono]naphthalen-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
(1Z)-1-[(2-chloro-4-nitrophenyl)hydrazinylidene]-2-naphthalenone

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>Z</I>)-1-[(2-chloro-4-nitrophenyl)hydrazinylidene]naphthalen-2-one

> <PUBCHEM_IUPAC_NAME>
(1Z)-1-[(2-chloro-4-nitrophenyl)hydrazinylidene]naphthalen-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1Z)-1-[(2-chloranyl-4-nitro-phenyl)hydrazinylidene]naphthalen-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1Z)-1-[(2-chloro-4-nitro-phenyl)hydrazono]naphthalen-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H10ClN3O3/c17-13-9-11(20(22)23)6-7-14(13)18-19-16-12-4-2-1-3-10(12)5-8-15(16)21/h1-9,18H/b19-16-

> <PUBCHEM_IUPAC_INCHIKEY>
WJJZURXPOSMHKT-MNDPQUGUSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
327.0410689

> <PUBCHEM_MOLECULAR_FORMULA>
C16H10ClN3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
327.72

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C=CC(=O)C2=NNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C\2C(=C1)C=CC(=O)/C2=N\NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

> <PUBCHEM_CACTVS_TPSA>
87.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
327.0410689

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  17  8
13  18  8
16  19  8
16  20  8
17  18  8
19  22  8
20  23  8
21  22  8
21  23  8
8  11  8
8  9  8
9  13  8

$$$$