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

Systemtic Name: [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [5-(4-fluorophenyl)-4-methyl-3-isoxazolyl]methyl ester IUPAC Name: [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl ester Formula: C17H13FN2O4 MolecularWeight: 328.294523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ON=C1COC(=O)C2=CC=[N+](C=C2)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(ON=C1COC(=O)C2=CC=[N+](C=C2)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C17H13FN2O4/c1-11-15(10-23-17(21)13-6-8-20(22)9-7-13)19-24-16(11)12-2-4-14(18)5-3-12/h2-9H,10H2,1H3