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

Systemtic Name: [3-[(E)-2-cyano-3-[(3,4-dimethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] naphthalene-1-carboxylate Openeye Name: [3-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxo-prop-1-enyl]phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [3-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [3-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-keto-prop-1-enyl]phenyl] ester Formula: C29H22N2O3 MolecularWeight: 446.49658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H22N2O3/c1-19-13-14-24(15-20(19)2)31-28(32)23(18-30)16-21-7-5-10-25(17-21)34-29(33)27-12-6-9-22-8-3-4-11-26(22)27/h3-17H,1-2H3,(H,31,32)/b23-16+