[2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-bromanylbenzoate

Systemtic Name: [2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-bromanylbenzoate Openeye Name: [2-(4-methoxy-3-nitro-phenyl)-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-(4-methoxy-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-3-nitrophenyl)-2-oxoethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-keto-2-(4-methoxy-3-nitro-phenyl)ethyl] ester Formula: C16H12BrNO6 MolecularWeight: 394.17358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrNO6/c1-23-15-7-4-11(8-13(15)18(21)22)14(19)9-24-16(20)10-2-5-12(17)6-3-10/h2-8H,9H2,1H3