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

Systemtic Name: [2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-[2-[(4-fluoroanilino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-keto-ethyl] ester Formula: C21H16FN3O5 MolecularWeight: 409.367243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)COC(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)COC(=O)C3=CC=CC=[N+]3[O-]

InChI

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