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

Systemtic Name: [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [5-(2,5-dimethyl-3-furyl)-1,3,4-oxadiazol-2-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [5-(2,5-dimethyl-3-furanyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [5-(2,5-dimethyl-3-furyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C15H13N3O5 MolecularWeight: 315.28082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C2=NN=C(O2)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CC1=CC(=C(O1)C)C2=NN=C(O2)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C15H13N3O5/c1-9-7-12(10(2)22-9)14-17-16-13(23-14)8-21-15(19)11-3-5-18(20)6-4-11/h3-7H,8H2,1-2H3