[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-ethoxyphenyl)-2-propenoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-p-phenetylacrylic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4/c1-2-26-19-11-8-17(9-12-19)10-13-21(25)27-16-20(24)23(15-14-22)18-6-4-3-5-7-18/h3-13H,2,15-16H2,1H3/b13-10+