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

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: (1-phenyltetrazol-5-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C14H11N5O3 MolecularWeight: 297.26884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C14H11N5O3/c20-14(11-6-8-18(21)9-7-11)22-10-13-15-16-17-19(13)12-4-2-1-3-5-12/h1-9H,10H2