[1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylbenzoate

Systemtic Name: [1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylbenzoate Openeye Name: [2-(3-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-(3-chloro-2-methyl-anilino)-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=C(C(=CC=C2)Cl)C

Isomeric SMILES

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

InChI

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