[3-[(E)-2-cyano-3-[(2-ethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzoate

Systemtic Name: [3-[(E)-2-cyano-3-[(2-ethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzoate Openeye Name: [3-[(E)-2-cyano-3-(2-ethylanilino)-3-oxo-prop-1-enyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-[(E)-2-cyano-3-(2-ethylanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-(2-ethylanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-[(E)-2-cyano-3-(2-ethylanilino)-3-keto-prop-1-enyl]phenyl] ester Formula: C26H22N2O3 MolecularWeight: 410.46448

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C(=CC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)C)C#N

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)/C(=C/C2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)C)/C#N

InChI

InChI=1S/C26H22N2O3/c1-3-20-8-4-5-10-24(20)28-25(29)22(17-27)15-19-7-6-9-23(16-19)31-26(30)21-13-11-18(2)12-14-21/h4-16H,3H2,1-2H3,(H,28,29)/b22-15+