[(2S)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate

Systemtic Name: [(2S)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate Openeye Name: [(1S)-2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [(1S)-2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H13BrN2O5 MolecularWeight: 393.18882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)Br)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H13BrN2O5/c1-10(15(20)18-12-8-6-11(17)7-9-12)24-16(21)13-4-2-3-5-14(13)19(22)23/h2-10H,1H3,(H,18,20)/t10-/m0/s1