(1-oxidanylpyridin-1-ium-4-yl) 4-(1-methyl-1,2,3,4-tetrazol-5-yl)benzoate

Systemtic Name: (1-oxidanylpyridin-1-ium-4-yl) 4-(1-methyl-1,2,3,4-tetrazol-5-yl)benzoate Openeye Name: (1-hydroxypyridin-1-ium-4-yl) 4-(1-methyltetrazol-5-yl)benzoate CAS Name: 4-(1-methyl-5-tetrazolyl)benzoic acid (1-hydroxy-4-pyridin-1-iumyl) ester IUPAC Name: (1-hydroxypyridin-1-ium-4-yl) 4-(1-methyltetrazol-5-yl)benzoate Traditional Name: 4-(1-methyltetrazol-5-yl)benzoic acid (1-hydroxypyridin-1-ium-4-yl) ester Formula: C14H12N5O3+ MolecularWeight: 298.27678

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)C2=CC=C(C=C2)C(=O)OC3=CC=[N+](C=C3)O

Isomeric SMILES

CN1C(=NN=N1)C2=CC=C(C=C2)C(=O)OC3=CC=[N+](C=C3)O

InChI

InChI=1S/C14H12N5O3/c1-18-13(15-16-17-18)10-2-4-11(5-3-10)14(20)22-12-6-8-19(21)9-7-12/h2-9,21H,1H3/q+1