[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-bromanylbenzoate

Systemtic Name: [(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-bromanylbenzoate Openeye Name: [(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C17H16BrNO3 MolecularWeight: 362.21784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)OC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C17H16BrNO3/c1-11-6-5-7-13(10-11)19-16(20)12(2)22-17(21)14-8-3-4-9-15(14)18/h3-10,12H,1-2H3,(H,19,20)/t12-/m0/s1