[1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranylbenzoate

Systemtic Name: [1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranylbenzoate Openeye Name: [2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [2-(2,4-dimethylanilino)-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)NC(=O)C(C)OC(=O)C2=CC(=CC=C2)Cl)C

Isomeric SMILES

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

InChI

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