[(2R)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [(2R)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [(1R)-2-(4-fluorophenyl)-1-methyl-2-oxo-ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [(1R)-2-(4-fluorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C17H15FN2O5 MolecularWeight: 346.309803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)F)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC

InChI

InChI=1S/C17H15FN2O5/c1-10(16(21)11-3-5-12(18)6-4-11)25-17(22)14-9-13(20(23)24)7-8-15(14)19-2/h3-10,19H,1-2H3/t10-/m1/s1