[(1R)-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [(1R)-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [(1R)-2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl] ester Formula: C21H16FN3O5 MolecularWeight: 409.367243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)F)OC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)NC2=CC=C(C=C2)F)OC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C21H16FN3O5/c22-15-7-9-16(10-8-15)24-20(26)19(13-4-2-1-3-5-13)30-21(27)14-6-11-17(23)18(12-14)25(28)29/h1-12,19H,23H2,(H,24,26)/t19-/m1/s1