methyl 4-[2-cyano-3-[(3-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[2-cyano-3-[(3-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[2-cyano-3-(3-nitroanilino)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[2-cyano-3-(3-nitroanilino)-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-cyano-3-(3-nitroanilino)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[2-cyano-3-keto-3-(3-nitroanilino)prop-1-enyl]benzoic acid methyl ester Formula: C18H13N3O5 MolecularWeight: 351.31292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O5/c1-26-18(23)13-7-5-12(6-8-13)9-14(11-19)17(22)20-15-3-2-4-16(10-15)21(24)25/h2-10H,1H3,(H,20,22)