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

Systemtic Name: [4-[(E)-2-cyano-3-[(2-methoxy-4-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] naphthalene-1-carboxylate Openeye Name: [4-[(E)-2-cyano-3-(2-methoxy-4-nitro-anilino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [4-[(E)-2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [4-[(E)-2-cyano-3-keto-3-(2-methoxy-4-nitro-anilino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C29H21N3O7 MolecularWeight: 523.49294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H21N3O7/c1-37-26-16-21(32(35)36)11-12-24(26)31-28(33)20(17-30)14-18-10-13-25(27(15-18)38-2)39-29(34)23-9-5-7-19-6-3-4-8-22(19)23/h3-16H,1-2H3,(H,31,33)/b20-14+