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

Systemtic Name: 4-(4-chlorophenyl)-1,1-dimethyl-5-oxidanylidene-1,2,4-triazol-1-ium-3-olate Openeye Name: 4-(4-chlorophenyl)-1,1-dimethyl-5-oxo-1,2,4-triazol-1-ium-3-olate CAS Name: 4-(4-chlorophenyl)-1,1-dimethyl-5-oxo-1,2,4-triazol-1-ium-3-olate IUPAC Name: 4-(4-chlorophenyl)-1,1-dimethyl-5-oxo-1,2,4-triazol-1-ium-3-olate Traditional Name: 4-(4-chlorophenyl)-5-keto-1,1-dimethyl-1,2,4-triazol-1-ium-3-olate Formula: C10H10ClN3O2 MolecularWeight: 239.6583

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=O)N(C(=N1)[O-])C2=CC=C(C=C2)Cl)C

Isomeric SMILES

C[N+]1(C(=O)N(C(=N1)[O-])C2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C10H10ClN3O2/c1-14(2)10(16)13(9(15)12-14)8-5-3-7(11)4-6-8/h3-6H,1-2H3