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

Systemtic Name: [1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(4-chlorophenyl)-2-cyano-prop-2-enoate Openeye Name: [2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] (E)-3-(4-chlorophenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(4-chlorophenyl)-2-cyano-2-propenoic acid [1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetamidoanilino)-1-oxopropan-2-yl] (E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(4-chlorophenyl)-2-cyano-acrylic acid [2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H18ClN3O4 MolecularWeight: 411.83832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C(=CC2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)/C(=C/C2=CC=C(C=C2)Cl)/C#N

InChI

InChI=1S/C21H18ClN3O4/c1-13(20(27)25-19-9-7-18(8-10-19)24-14(2)26)29-21(28)16(12-23)11-15-3-5-17(22)6-4-15/h3-11,13H,1-2H3,(H,24,26)(H,25,27)/b16-11+