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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C17H16BrNO3/c1-12(16(20)19-11-13-6-3-2-4-7-13)22-17(21)14-8-5-9-15(18)10-14/h2-10,12H,11H2,1H3,(H,19,20)