[2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(3,4-difluorophenyl)-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-(3,4-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-difluorophenyl)-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-(3,4-difluorophenyl)-2-keto-ethyl] ester Formula: C17H13F2NO7 MolecularWeight: 381.284426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)C2=CC(=C(C=C2)F)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)C2=CC(=C(C=C2)F)F)[N+](=O)[O-])OC

InChI

InChI=1S/C17H13F2NO7/c1-25-15-6-10(13(20(23)24)7-16(15)26-2)17(22)27-8-14(21)9-3-4-11(18)12(19)5-9/h3-7H,8H2,1-2H3