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

Systemtic Name: [1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-bromanylbenzoate Openeye Name: [2-(3-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-(3-chloro-2-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C17H15BrClNO3 MolecularWeight: 396.6629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H15BrClNO3/c1-10-14(19)4-3-5-15(10)20-16(21)11(2)23-17(22)12-6-8-13(18)9-7-12/h3-9,11H,1-2H3,(H,20,21)