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

Systemtic Name: [2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 3-methyl-2-nitro-benzoate Openeye Name: [2-(3,4-difluorophenyl)-2-oxo-ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-(3,4-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-difluorophenyl)-2-oxoethyl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [2-(3,4-difluorophenyl)-2-keto-ethyl] ester Formula: C16H11F2NO5 MolecularWeight: 335.259046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11F2NO5/c1-9-3-2-4-11(15(9)19(22)23)16(21)24-8-14(20)10-5-6-12(17)13(18)7-10/h2-7H,8H2,1H3