[(1S)-2-(4-methylphenyl)-2-oxidanylidene-1-phenyl-ethyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [(1S)-2-(4-methylphenyl)-2-oxidanylidene-1-phenyl-ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [(1S)-2-oxo-1-phenyl-2-(p-tolyl)ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [(1S)-2-keto-1-phenyl-2-(p-tolyl)ethyl] ester Formula: C22H16BrNO5 MolecularWeight: 454.27014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C22H16BrNO5/c1-14-7-9-15(10-8-14)20(25)21(16-5-3-2-4-6-16)29-22(26)17-11-12-18(23)19(13-17)24(27)28/h2-13,21H,1H3/t21-/m0/s1