11595259
  -OEChem-04252400182D

 38 40  0     0  0  0  0  0  0999 V2000
    4.3794    0.2820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9480    0.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500   -2.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5080    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.5823    2.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0820   -1.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2160   -0.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    1.4035    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.6801   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4121   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4121    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8141   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5461   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6801    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5461    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3061   -1.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3061    0.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9480   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2121   -0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2121    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4839   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5704   -1.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    0.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9013   -0.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4155   -1.6874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2126   -1.6874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5461   -1.8325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1432    0.5975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5461    1.4075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2989   -1.8671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2989    1.4421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7479   -1.0454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7479    0.6204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0820   -1.8325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2160   -0.0925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4415   -1.7257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2846   -0.4409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 24  1  0  0  0  0
  2 18  2  0  0  0  0
  3 22  2  0  0  0  0
  4  8  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  6 35  1  0  0  0  0
  7 22  1  0  0  0  0
  7 36  1  0  0  0  0
  8 24  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 16  2  0  0  0  0
 11 15  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  2  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 19  1  0  0  0  0
 16 31  1  0  0  0  0
 17 20  1  0  0  0  0
 17 32  1  0  0  0  0
 19 20  2  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 25  1  0  0  0  0
 23 37  1  0  0  0  0
 24 25  2  0  0  0  0
 25 38  1  0  0  0  0
M  CHG  2   4  -1   8   1
M  END
> <PUBCHEM_COMPOUND_CID>
11595259

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
521

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7OAAAAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAADB1AAAHgAcAAAADASBmAAwhMByRECJAqFSUwKCCAAsIgI6qAHGbMoOJjKEtZ+LOSDk0BEI6Ye8n8COwAACAAAQAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N'-[2-(2-naphthyl)acetyl]-5-nitro-furan-2-carbohydrazide

> <PUBCHEM_IUPAC_CAS_NAME>
N'-[2-(2-naphthalenyl)-1-oxoethyl]-5-nitro-2-furancarbohydrazide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>&apos;-(2-naphthalen-2-ylacetyl)-5-nitrofuran-2-carbohydrazide

> <PUBCHEM_IUPAC_NAME>
N'-(2-naphthalen-2-ylacetyl)-5-nitrofuran-2-carbohydrazide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N'-(2-naphthalen-2-ylethanoyl)-5-nitro-furan-2-carbohydrazide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N'-[2-(2-naphthyl)acetyl]-5-nitro-2-furohydrazide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H13N3O5/c21-15(10-11-5-6-12-3-1-2-4-13(12)9-11)18-19-17(22)14-7-8-16(25-14)20(23)24/h1-9H,10H2,(H,18,21)(H,19,22)

> <PUBCHEM_IUPAC_INCHIKEY>
UCJQERPCMJXITB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
339.08552052

> <PUBCHEM_MOLECULAR_FORMULA>
C17H13N3O5

> <PUBCHEM_MOLECULAR_WEIGHT>
339.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C=C(C=CC2=C1)CC(=O)NNC(=O)C3=CC=C(O3)[N+](=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C=C(C=CC2=C1)CC(=O)NNC(=O)C3=CC=C(O3)[N+](=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
117

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
339.08552052

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
1  21  8
1  24  8
10  11  8
10  13  8
10  16  8
11  15  8
11  17  8
14  15  8
16  19  8
17  20  8
19  20  8
21  23  8
23  25  8
24  25  8
9  13  8
9  14  8

$$$$