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

Systemtic Name: [1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,4-dimethylbenzoate Openeye Name: [2-(3-chloroanilino)-1-methyl-2-oxo-ethyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [1-(3-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloroanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [2-(3-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=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)Cl)C

Isomeric SMILES

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

InChI

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