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

Systemtic Name: [5-[(E)-2-cyano-3-[(2-methyl-4-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] naphthalene-1-carboxylate Openeye Name: [5-[(E)-2-cyano-3-(2-methyl-4-nitro-anilino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [5-[(E)-2-cyano-3-(2-methyl-4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [5-[(E)-2-cyano-3-(2-methyl-4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [5-[(E)-2-cyano-3-keto-3-(2-methyl-4-nitro-anilino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C29H21N3O6 MolecularWeight: 507.49354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(=CC2=CC(=C(C=C2)OC)OC(=O)C3=CC=CC4=CC=CC=C43)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)/C(=C/C2=CC(=C(C=C2)OC)OC(=O)C3=CC=CC4=CC=CC=C43)/C#N

InChI

InChI=1S/C29H21N3O6/c1-18-14-22(32(35)36)11-12-25(18)31-28(33)21(17-30)15-19-10-13-26(37-2)27(16-19)38-29(34)24-9-5-7-20-6-3-4-8-23(20)24/h3-16H,1-2H3,(H,31,33)/b21-15+