[(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-4-fluoranyl-benzoate

Systemtic Name: [(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-4-fluoranyl-benzoate Openeye Name: [(1S)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 2-amino-4-fluoro-benzoate CAS Name: 2-amino-4-fluorobenzoic acid [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] 2-amino-4-fluorobenzoate Traditional Name: 2-amino-4-fluoro-benzoic acid [(1S)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C16H14FN3O5 MolecularWeight: 347.297863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=C(C=C(C=C2)F)N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=C(C=C(C=C2)F)N

InChI

InChI=1S/C16H14FN3O5/c1-9(25-16(22)11-7-6-10(17)8-12(11)18)15(21)19-13-4-2-3-5-14(13)20(23)24/h2-9H,18H2,1H3,(H,19,21)/t9-/m0/s1