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

Systemtic Name: [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C18H17N3O7 MolecularWeight: 387.34348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C18H17N3O7/c1-24-13-8-12(9-14(25-2)16(13)26-3)17-20-19-15(28-17)10-27-18(22)11-4-6-21(23)7-5-11/h4-9H,10H2,1-3H3