[3-chloranyl-2-methyl-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] benzoate

Systemtic Name: [3-chloranyl-2-methyl-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] benzoate Openeye Name: [1-(chloromethyl)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] benzoate CAS Name: benzoic acid [3-chloro-2-methyl-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [3-chloro-2-methyl-1-oxo-1-(propan-2-ylamino)propan-2-yl] benzoate Traditional Name: benzoic acid [1-(chloromethyl)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H18ClNO3 MolecularWeight: 283.75062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)(CCl)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)NC(=O)C(C)(CCl)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H18ClNO3/c1-10(2)16-13(18)14(3,9-15)19-12(17)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,16,18)