[1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 2-methyl-3-nitro-benzoate

Systemtic Name: [1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 2-methyl-3-nitro-benzoate Openeye Name: [2-(4-fluorophenyl)-1-methyl-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [1-(4-fluorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-(4-fluorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C17H14FNO5 MolecularWeight: 331.295163

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H14FNO5/c1-10-14(4-3-5-15(10)19(22)23)17(21)24-11(2)16(20)12-6-8-13(18)9-7-12/h3-9,11H,1-2H3