5-(4-methylphenyl)-3-nitro-1H-1,2,4-triazole

Systemtic Name: 5-(4-methylphenyl)-3-nitro-1H-1,2,4-triazole Openeye Name: 3-nitro-5-(p-tolyl)-1H-1,2,4-triazole CAS Name: 5-(4-methylphenyl)-3-nitro-1H-1,2,4-triazole IUPAC Name: 5-(4-methylphenyl)-3-nitro-1H-1,2,4-triazole Traditional Name: 3-nitro-5-(p-tolyl)-1H-1,2,4-triazole Formula: C9H8N4O2 MolecularWeight: 204.18542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)[N+](=O)[O-]

InChI

InChI=1S/C9H8N4O2/c1-6-2-4-7(5-3-6)8-10-9(12-11-8)13(14)15/h2-5H,1H3,(H,10,11,12)