[2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: [2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Openeye Name: [2-(3-acetamidoanilino)-2-oxo-ethyl] (E)-2-cyano-3-(p-tolyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methylphenyl)-2-propenoic acid [2-(3-acetamidoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-acetamidoanilino)-2-oxoethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(p-tolyl)acrylic acid [2-(3-acetamidoanilino)-2-keto-ethyl] ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)NC2=CC=CC(=C2)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)NC2=CC=CC(=C2)NC(=O)C

InChI

InChI=1S/C21H19N3O4/c1-14-6-8-16(9-7-14)10-17(12-22)21(27)28-13-20(26)24-19-5-3-4-18(11-19)23-15(2)25/h3-11H,13H2,1-2H3,(H,23,25)(H,24,26)/b17-10+