[(1S)-1-(4-nitrophenyl)-2-oxidanylidene-2-phenyl-ethyl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [(1S)-1-(4-nitrophenyl)-2-oxidanylidene-2-phenyl-ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [(1S)-1-(4-nitrophenyl)-2-oxo-2-phenyl-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [(1S)-1-(4-nitrophenyl)-2-oxo-2-phenylethyl] ester IUPAC Name: [(1S)-1-(4-nitrophenyl)-2-oxo-2-phenylethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [(1S)-2-keto-1-(4-nitrophenyl)-2-phenyl-ethyl] ester Formula: C21H14BrNO6 MolecularWeight: 456.24296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)[C@H](C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C21H14BrNO6/c22-15-8-11-18(24)17(12-15)21(26)29-20(19(25)13-4-2-1-3-5-13)14-6-9-16(10-7-14)23(27)28/h1-12,20,24H/t20-/m0/s1