[(2R)-1-[(2-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [(2R)-1-[(2-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [(1R)-2-(2-chloro-4-fluoro-anilino)-1-methyl-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [(1R)-2-(2-chloro-4-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C15H12ClFN2O4 MolecularWeight: 338.718183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClFN2O4/c1-9(23-15(21)10-4-6-19(22)7-5-10)14(20)18-13-3-2-11(17)8-12(13)16/h2-9H,1H3,(H,18,20)/t9-/m1/s1