phenyl (3E)-3-[(2-nitro-4-nitroso-phenyl)hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: phenyl (3E)-3-[(2-nitro-4-nitroso-phenyl)hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate Openeye Name: phenyl (3E)-3-[(2-nitro-4-nitroso-phenyl)hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylate CAS Name: (3E)-3-[(2-nitro-4-nitrosophenyl)hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid phenyl ester IUPAC Name: phenyl (3E)-3-[(2-nitro-4-nitrosophenyl)hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate Traditional Name: (3E)-6-keto-3-[(2-nitro-4-nitroso-phenyl)hydrazono]cyclohexa-1,4-diene-1-carboxylic acid phenyl ester Formula: C19H12N4O6 MolecularWeight: 392.32178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=CC(=NNC3=C(C=C(C=C3)N=O)[N+](=O)[O-])C=CC2=O

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=C/C(=N/NC3=C(C=C(C=C3)N=O)[N+](=O)[O-])/C=CC2=O

InChI

InChI=1S/C19H12N4O6/c24-18-9-7-12(10-15(18)19(25)29-14-4-2-1-3-5-14)20-21-16-8-6-13(22-26)11-17(16)23(27)28/h1-11,21H/b20-12+