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

Systemtic Name: [3-[(E)-2-cyano-3-[(2-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] naphthalene-1-carboxylate Openeye Name: [3-[(E)-2-cyano-3-(2-methylanilino)-3-oxo-prop-1-enyl]phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [3-[(E)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [3-[(E)-2-cyano-3-keto-3-(o-toluidino)prop-1-enyl]phenyl] ester Formula: C28H20N2O3 MolecularWeight: 432.47

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=CC2=CC(=CC=C2)OC(=O)C3=CC=CC4=CC=CC=C43)C#N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)/C(=C/C2=CC(=CC=C2)OC(=O)C3=CC=CC4=CC=CC=C43)/C#N

InChI

InChI=1S/C28H20N2O3/c1-19-8-2-5-15-26(19)30-27(31)22(18-29)16-20-9-6-12-23(17-20)33-28(32)25-14-7-11-21-10-3-4-13-24(21)25/h2-17H,1H3,(H,30,31)/b22-16+