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

Systemtic Name: [1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-bromanylbenzoate Openeye Name: [2-(4-chloroanilino)-1-methyl-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [1-(4-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-chloroanilino)-1-oxopropan-2-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-(4-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H13BrClNO3 MolecularWeight: 382.63632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Cl)OC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Cl)OC(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C16H13BrClNO3/c1-10(15(20)19-14-7-5-13(18)6-8-14)22-16(21)11-3-2-4-12(17)9-11/h2-10H,1H3,(H,19,20)