(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-oxidanidylpyridin-1-ium-3-carboxylate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-oxidanidylpyridin-1-ium-3-carboxylate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-oxidopyridin-1-ium-3-carboxylate CAS Name: 1-oxido-3-pyridin-1-iumcarboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 1-oxidopyridin-1-ium-3-carboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C15H11N3O4 MolecularWeight: 297.26554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N3O4/c19-15(12-7-4-8-18(20)9-12)21-10-13-16-17-14(22-13)11-5-2-1-3-6-11/h1-9H,10H2