[(2S)-1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [(2S)-1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-nitro-benzoate Openeye Name: [(1S)-2-(2-fluoroanilino)-1-methyl-2-oxo-ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [(1S)-2-(2-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H12ClFN2O5 MolecularWeight: 366.728283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1F)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1F)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H12ClFN2O5/c1-9(15(21)19-14-5-3-2-4-13(14)18)25-16(22)11-8-10(20(23)24)6-7-12(11)17/h2-9H,1H3,(H,19,21)/t9-/m0/s1