[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C15H10FN3O4 MolecularWeight: 315.256003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NOC(=N2)COC(=O)C3=CC=[N+](C=C3)[O-])F

Isomeric SMILES

C1=CC(=CC=C1C2=NOC(=N2)COC(=O)C3=CC=[N+](C=C3)[O-])F

InChI

InChI=1S/C15H10FN3O4/c16-12-3-1-10(2-4-12)14-17-13(23-18-14)9-22-15(20)11-5-7-19(21)8-6-11/h1-8H,9H2