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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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