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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(O2)COC(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(O2)COC(=O)C3=CC=CC=[N+]3[O-]

InChI

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