[1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [1-methyl-2-(3-methylanilino)-2-oxo-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoic acid [1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-methylanilino)-1-oxopropan-2-yl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methoxyphenyl)acrylic acid [2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C(=CC2=CC=C(C=C2)OC)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)/C(=C/C2=CC=C(C=C2)OC)/C#N

InChI

InChI=1S/C21H20N2O4/c1-14-5-4-6-18(11-14)23-20(24)15(2)27-21(25)17(13-22)12-16-7-9-19(26-3)10-8-16/h4-12,15H,1-3H3,(H,23,24)/b17-12+