1,1-dimethyl-4-(2-methylphenyl)-5-oxidanylidene-1,2,4-triazol-1-ium-3-olate

Systemtic Name: 1,1-dimethyl-4-(2-methylphenyl)-5-oxidanylidene-1,2,4-triazol-1-ium-3-olate Openeye Name: 1,1-dimethyl-4-(o-tolyl)-5-oxo-1,2,4-triazol-1-ium-3-olate CAS Name: 1,1-dimethyl-4-(2-methylphenyl)-5-oxo-1,2,4-triazol-1-ium-3-olate IUPAC Name: 1,1-dimethyl-4-(2-methylphenyl)-5-oxo-1,2,4-triazol-1-ium-3-olate Traditional Name: 5-keto-1,1-dimethyl-4-(o-tolyl)-1,2,4-triazol-1-ium-3-olate Formula: C11H13N3O2 MolecularWeight: 219.23982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=N[N+](C2=O)(C)C)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C(=N[N+](C2=O)(C)C)[O-]

InChI

InChI=1S/C11H13N3O2/c1-8-6-4-5-7-9(8)13-10(15)12-14(2,3)11(13)16/h4-7H,1-3H3