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

Systemtic Name: [2-(4-methoxyphenyl)-2-oxidanylidene-1-phenyl-ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-(4-methoxyphenyl)-2-oxo-1-phenyl-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-keto-2-(4-methoxyphenyl)-1-phenyl-ethyl] ester Formula: C22H16BrNO6 MolecularWeight: 470.26954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C22H16BrNO6/c1-29-17-10-7-14(8-11-17)20(25)21(15-5-3-2-4-6-15)30-22(26)16-9-12-18(23)19(13-16)24(27)28/h2-13,21H,1H3