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

Systemtic Name: [4-[(E)-2-cyano-3-[(2-ethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] naphthalene-1-carboxylate Openeye Name: [4-[(E)-2-cyano-3-(2-ethoxyanilino)-3-oxo-prop-1-enyl]phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [4-[(E)-2-cyano-3-(2-ethoxyanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-ethoxyanilino)-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [4-[(E)-2-cyano-3-keto-3-(o-phenetidino)prop-1-enyl]phenyl] ester Formula: C29H22N2O4 MolecularWeight: 462.49598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=CC4=CC=CC=C43)C#N

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)/C(=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC4=CC=CC=C43)/C#N

InChI

InChI=1S/C29H22N2O4/c1-2-34-27-13-6-5-12-26(27)31-28(32)22(19-30)18-20-14-16-23(17-15-20)35-29(33)25-11-7-9-21-8-3-4-10-24(21)25/h3-18H,2H2,1H3,(H,31,32)/b22-18+