[(1R)-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-nitrobenzoate

Systemtic Name: [(1R)-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-nitrobenzoate Openeye Name: [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [(1R)-2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl] ester Formula: C21H15FN2O5 MolecularWeight: 394.352603

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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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H15FN2O5/c22-16-9-11-17(12-10-16)23-20(25)19(14-5-2-1-3-6-14)29-21(26)15-7-4-8-18(13-15)24(27)28/h1-13,19H,(H,23,25)/t19-/m1/s1