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

Systemtic Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C16H13N3O4/c1-11-6-2-3-7-12(11)15-17-14(23-18-15)10-22-16(20)13-8-4-5-9-19(13)21/h2-9H,10H2,1H3