[2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: [2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Openeye Name: [2-(5-acetamido-2-methoxy-anilino)-2-oxo-ethyl] (E)-2-cyano-3-(p-tolyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methylphenyl)-2-propenoic acid [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(p-tolyl)acrylic acid [2-(5-acetamido-2-methoxy-anilino)-2-keto-ethyl] ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5/c1-14-4-6-16(7-5-14)10-17(12-23)22(28)30-13-21(27)25-19-11-18(24-15(2)26)8-9-20(19)29-3/h4-11H,13H2,1-3H3,(H,24,26)(H,25,27)/b17-10+