4-(4-methyl-1-oxidanidyl-1,2,3-triazol-1-ium-2-yl)benzoic acid

Systemtic Name: 4-(4-methyl-1-oxidanidyl-1,2,3-triazol-1-ium-2-yl)benzoic acid Openeye Name: 4-(4-methyl-1-oxido-triazol-1-ium-2-yl)benzoic acid CAS Name: 4-(4-methyl-1-oxido-2-triazol-1-iumyl)benzoic acid IUPAC Name: 4-(4-methyl-1-oxidotriazol-1-ium-2-yl)benzoic acid Traditional Name: 4-(4-methyl-1-oxido-triazol-1-ium-2-yl)benzoic acid Formula: C10H9N3O3 MolecularWeight: 219.19676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN([N+](=C1)[O-])C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NN([N+](=C1)[O-])C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C10H9N3O3/c1-7-6-12(16)13(11-7)9-4-2-8(3-5-9)10(14)15/h2-6H,1H3,(H,14,15)