[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-ethoxyphenyl)-2-propenoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-p-phenetyl-acrylic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)NC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)NC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C22H22N2O4/c1-4-27-20-7-5-17(6-8-20)12-18(13-23)22(26)28-14-21(25)24-19-10-15(2)9-16(3)11-19/h5-12H,4,14H2,1-3H3,(H,24,25)/b18-12+