9570225
  -OEChem-05191317372D

 39 41  0     0  0  0  0  0  0999 V2000
    2.8660   -0.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    1.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    3.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    3.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    1.0780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    4.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    3.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.9573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    1.8998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    3.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.7304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.8043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101   -3.7673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501   -3.7673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 22  1  0  0  0  0
  2 19  1  0  0  0  0
  2 23  1  0  0  0  0
  3 12  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 29  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 13  2  0  0  0  0
  8 12  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 24  1  0  0  0  0
 11 14  2  0  0  0  0
 11 25  1  0  0  0  0
 12 14  1  0  0  0  0
 13 18  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 20  1  0  0  0  0
 16 19  2  0  0  0  0
 16 28  1  0  0  0  0
 17 18  2  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9570225

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
489

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAYAAAADAyBmAIyxoBiBACoA6RyQACSDAAgIgAYiAEnbNgOJrKEtZuBMCBm2BkI6YfY2IGOgQAAAgAQEAACAAAEACAgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1Z)-1-[(2,5-dimethoxyphenyl)hydrazono]naphthalen-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
(1Z)-1-[(2,5-dimethoxyphenyl)hydrazinylidene]-2-naphthalenone

> <PUBCHEM_IUPAC_NAME>
(1Z)-1-[(2,5-dimethoxyphenyl)hydrazinylidene]naphthalen-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1Z)-1-[(2,5-dimethoxyphenyl)hydrazinylidene]naphthalen-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1Z)-1-[(2,5-dimethoxyphenyl)hydrazono]naphthalen-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H16N2O3/c1-22-13-8-10-17(23-2)15(11-13)19-20-18-14-6-4-3-5-12(14)7-9-16(18)21/h3-11,19H,1-2H3/b20-18-

> <PUBCHEM_IUPAC_INCHIKEY>
ULLJIFAIUSUJBP-ZZEZOPTASA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
308.116092

> <PUBCHEM_MOLECULAR_FORMULA>
C18H16N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
308.33124

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC(=C(C=C1)OC)NN=C2C(=O)C=CC3=CC=CC=C32

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC(=C(C=C1)OC)N/N=C/2\C(=O)C=CC3=CC=CC=C32

> <PUBCHEM_CACTVS_TPSA>
59.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
308.116092

> <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>
4

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  17  8
13  18  8
15  20  8
16  19  8
17  18  8
19  21  8
20  21  8
6  10  8
6  7  8
7  13  8
9  15  8
9  16  8

$$$$