[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C18H17BrN2O4 MolecularWeight: 405.24258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC(=CC=C1)Br)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=CC(=CC=C1)Br)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H17BrN2O4/c1-12(20-17(23)13-6-3-2-4-7-13)18(24)25-11-16(22)21-15-9-5-8-14(19)10-15/h2-10,12H,11H2,1H3,(H,20,23)(H,21,22)/t12-/m0/s1