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

Systemtic Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid (3-p-cumenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4/c1-12(2)13-3-5-14(6-4-13)17-19-16(25-20-17)11-24-18(22)15-7-9-21(23)10-8-15/h3-10,12H,11H2,1-2H3