[2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-(5-fluoro-2-methoxy-phenyl)-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-(5-fluoro-2-methoxy-phenyl)-2-keto-ethyl] ester Formula: C16H11BrFNO6 MolecularWeight: 412.164043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrFNO6/c1-24-15-5-3-10(18)7-11(15)14(20)8-25-16(21)9-2-4-12(17)13(6-9)19(22)23/h2-7H,8H2,1H3