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

Systemtic Name: [2-[2-[bis(fluoranyl)methoxy]-5-methyl-phenyl]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-[2-(difluoromethoxy)-5-methyl-phenyl]-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-[2-(difluoromethoxy)-5-methylphenyl]-2-oxoethyl] ester IUPAC Name: [2-[2-(difluoromethoxy)-5-methylphenyl]-2-oxoethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-[2-(difluoromethoxy)-5-methyl-phenyl]-2-keto-ethyl] ester Formula: C17H12BrF2NO6 MolecularWeight: 444.181086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(F)F)C(=O)COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC(F)F)C(=O)COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H12BrF2NO6/c1-9-2-5-15(27-17(19)20)11(6-9)14(22)8-26-16(23)10-3-4-12(18)13(7-10)21(24)25/h2-7,17H,8H2,1H3