[(1R)-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [(1R)-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [(1R)-2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl] ester Formula: C20H15FN2O4 MolecularWeight: 366.342503

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15FN2O4/c21-16-6-8-17(9-7-16)22-19(24)18(14-4-2-1-3-5-14)27-20(25)15-10-12-23(26)13-11-15/h1-13,18H,(H,22,24)/t18-/m1/s1