[2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-(4-acetamido-2-fluoro-phenyl)-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-(4-acetamido-2-fluoro-phenyl)-2-keto-ethyl] ester Formula: C16H13FN2O5 MolecularWeight: 332.283223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13FN2O5/c1-10(20)18-12-2-3-13(14(17)8-12)15(21)9-24-16(22)11-4-6-19(23)7-5-11/h2-8H,9H2,1H3,(H,18,20)