4-(4-chloranyl-2-methyl-phenyl)-1,1-dimethyl-5-oxidanylidene-1,2,4-triazol-1-ium-3-olate

Systemtic Name: 4-(4-chloranyl-2-methyl-phenyl)-1,1-dimethyl-5-oxidanylidene-1,2,4-triazol-1-ium-3-olate Openeye Name: 4-(4-chloro-2-methyl-phenyl)-1,1-dimethyl-5-oxo-1,2,4-triazol-1-ium-3-olate CAS Name: 4-(4-chloro-2-methylphenyl)-1,1-dimethyl-5-oxo-1,2,4-triazol-1-ium-3-olate IUPAC Name: 4-(4-chloro-2-methylphenyl)-1,1-dimethyl-5-oxo-1,2,4-triazol-1-ium-3-olate Traditional Name: 4-(4-chloro-2-methyl-phenyl)-5-keto-1,1-dimethyl-1,2,4-triazol-1-ium-3-olate Formula: C11H12ClN3O2 MolecularWeight: 253.68488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)N2C(=N[N+](C2=O)(C)C)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)N2C(=N[N+](C2=O)(C)C)[O-]

InChI

InChI=1S/C11H12ClN3O2/c1-7-6-8(12)4-5-9(7)14-10(16)13-15(2,3)11(14)17/h4-6H,1-3H3