[1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 3-nitrobenzoate

Systemtic Name: [1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 3-nitrobenzoate Openeye Name: [2-(4-bromophenyl)-1-methyl-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [1-(4-bromophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromophenyl)-1-oxopropan-2-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(4-bromophenyl)-2-keto-1-methyl-ethyl] ester Formula: C16H12BrNO5 MolecularWeight: 378.17418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrNO5/c1-10(15(19)11-5-7-13(17)8-6-11)23-16(20)12-3-2-4-14(9-12)18(21)22/h2-10H,1H3