[1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(acetamidomethyl)benzoate

Systemtic Name: [1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(acetamidomethyl)benzoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl] 4-(acetamidomethyl)benzoate CAS Name: 4-(acetamidomethyl)benzoic acid [1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate Traditional Name: 4-(acetamidomethyl)benzoic acid [2-(3-chloro-4-cyano-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O4/c1-12(19(26)24-17-8-7-16(10-22)18(21)9-17)28-20(27)15-5-3-14(4-6-15)11-23-13(2)25/h3-9,12H,11H2,1-2H3,(H,23,25)(H,24,26)