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

Systemtic Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C17H15N3O4/c1-2-12-3-5-13(6-4-12)16-18-15(24-19-16)11-23-17(21)14-7-9-20(22)10-8-14/h3-10H,2,11H2,1H3