[1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,5-dimethylbenzoate

Systemtic Name: [1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,5-dimethylbenzoate Openeye Name: [2-(4-chloroanilino)-1-methyl-2-oxo-ethyl] 2,5-dimethylbenzoate CAS Name: 2,5-dimethylbenzoic acid [1-(4-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-chloroanilino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate Traditional Name: 2,5-dimethylbenzoic acid [2-(4-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18ClNO3 MolecularWeight: 331.79342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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