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

Systemtic Name: [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C16H13N3O5 MolecularWeight: 327.29152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NOC(=N2)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=NOC(=N2)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C16H13N3O5/c1-22-13-4-2-3-12(9-13)15-17-14(24-18-15)10-23-16(20)11-5-7-19(21)8-6-11/h2-9H,10H2,1H3