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

Systemtic Name: [2-oxidanylidene-2-[4-(phenylcarbonyloxy)phenyl]ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-(4-benzoyloxyphenyl)-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-(4-benzoyloxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-benzoyloxyphenyl)-2-oxoethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-(4-benzoyloxyphenyl)-2-keto-ethyl] ester Formula: C22H14BrNO7 MolecularWeight: 484.25306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C22H14BrNO7/c23-18-11-8-16(12-19(18)24(28)29)21(26)30-13-20(25)14-6-9-17(10-7-14)31-22(27)15-4-2-1-3-5-15/h1-12H,13H2