[1-[3,4-bis(fluoranyl)phenyl]-1-oxidanylidene-propan-2-yl] 2-methyl-6-nitro-benzoate

Systemtic Name: [1-[3,4-bis(fluoranyl)phenyl]-1-oxidanylidene-propan-2-yl] 2-methyl-6-nitro-benzoate Openeye Name: [2-(3,4-difluorophenyl)-1-methyl-2-oxo-ethyl] 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [1-(3,4-difluorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [2-(3,4-difluorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C17H13F2NO5 MolecularWeight: 349.285626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13F2NO5/c1-9-4-3-5-14(20(23)24)15(9)17(22)25-10(2)16(21)11-6-7-12(18)13(19)8-11/h3-8,10H,1-2H3