[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-5-phenylmethoxy-benzoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-5-phenylmethoxy-benzoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 3-benzyloxy-5-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxy-5-phenylmethoxybenzoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 3-bromo-4-methoxy-5-phenylmethoxybenzoate Traditional Name: 3-benzoxy-5-bromo-4-methoxy-benzoic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C23H18BrNO7 MolecularWeight: 500.29552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Br)C(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1Br)C(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C23H18BrNO7/c1-30-22-19(24)11-17(12-21(22)31-13-15-5-3-2-4-6-15)23(27)32-14-20(26)16-7-9-18(10-8-16)25(28)29/h2-12H,13-14H2,1H3