ethyl (3E)-3-[[2-nitro-4-(phenylcarbonyl)phenyl]hydrazinylidene]-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxylate

Systemtic Name: ethyl (3E)-3-[[2-nitro-4-(phenylcarbonyl)phenyl]hydrazinylidene]-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxylate Openeye Name: ethyl (3E)-3-[(4-benzoyl-2-nitro-phenyl)hydrazono]-4-oxo-cyclohexa-1,5-diene-1-carboxylate CAS Name: (3E)-3-[(4-benzoyl-2-nitrophenyl)hydrazinylidene]-4-oxo-1-cyclohexa-1,5-dienecarboxylic acid ethyl ester IUPAC Name: ethyl (3E)-3-[(4-benzoyl-2-nitrophenyl)hydrazinylidene]-4-oxocyclohexa-1,5-diene-1-carboxylate Traditional Name: (3E)-3-[(4-benzoyl-2-nitro-phenyl)hydrazono]-4-keto-cyclohexa-1,5-diene-1-carboxylic acid ethyl ester Formula: C22H17N3O6 MolecularWeight: 419.38688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NNC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])C(=O)C=C1

Isomeric SMILES

CCOC(=O)C1=C/C(=N\NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])/C(=O)C=C1

InChI

InChI=1S/C22H17N3O6/c1-2-31-22(28)16-9-11-20(26)18(12-16)24-23-17-10-8-15(13-19(17)25(29)30)21(27)14-6-4-3-5-7-14/h3-13,23H,2H2,1H3/b24-18+