4-methyl-1-(4-nitrophenyl)-1,2,4-triazol-4-ium

Systemtic Name: 4-methyl-1-(4-nitrophenyl)-1,2,4-triazol-4-ium Openeye Name: 4-methyl-1-(4-nitrophenyl)-1,2,4-triazol-4-ium CAS Name: 4-methyl-1-(4-nitrophenyl)-1,2,4-triazol-4-ium IUPAC Name: 4-methyl-1-(4-nitrophenyl)-1,2,4-triazol-4-ium Traditional Name: 4-methyl-1-(4-nitrophenyl)-1,2,4-triazol-4-ium Formula: C9H9N4O2+ MolecularWeight: 205.19336

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(N=C1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=CN(N=C1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C9H9N4O2/c1-11-6-10-12(7-11)8-2-4-9(5-3-8)13(14)15/h2-7H,1H3/q+1