[1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,4-dimethylbenzoate

Systemtic Name: [1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,4-dimethylbenzoate Openeye Name: [2-(3-chloroanilino)-1-methyl-2-oxo-ethyl] 2,4-dimethylbenzoate CAS Name: 2,4-dimethylbenzoic acid [1-(3-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloroanilino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate Traditional Name: 2,4-dimethylbenzoic acid [2-(3-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18ClNO3 MolecularWeight: 331.79342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)Cl)C

InChI

InChI=1S/C18H18ClNO3/c1-11-7-8-16(12(2)9-11)18(22)23-13(3)17(21)20-15-6-4-5-14(19)10-15/h4-10,13H,1-3H3,(H,20,21)