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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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