[5-[(E)-2-cyano-3-[(4-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] naphthalene-1-carboxylate

Systemtic Name: [5-[(E)-2-cyano-3-[(4-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] naphthalene-1-carboxylate Openeye Name: [5-[(E)-2-cyano-3-(4-nitroanilino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [5-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [5-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [5-[(E)-2-cyano-3-keto-3-(4-nitroanilino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C28H19N3O6 MolecularWeight: 493.46696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C28H19N3O6/c1-36-25-14-9-18(15-20(17-29)27(32)30-21-10-12-22(13-11-21)31(34)35)16-26(25)37-28(33)24-8-4-6-19-5-2-3-7-23(19)24/h2-16H,1H3,(H,30,32)/b20-15+