N-(4-methylphenyl)-3-nitro-1H-1,2,4-triazol-5-amine

Systemtic Name: N-(4-methylphenyl)-3-nitro-1H-1,2,4-triazol-5-amine Openeye Name: 3-nitro-N-(p-tolyl)-1H-1,2,4-triazol-5-amine CAS Name: N-(4-methylphenyl)-3-nitro-1H-1,2,4-triazol-5-amine IUPAC Name: N-(4-methylphenyl)-3-nitro-1H-1,2,4-triazol-5-amine Traditional Name: (3-nitro-1H-1,2,4-triazol-5-yl)-(p-tolyl)amine Formula: C9H9N5O2 MolecularWeight: 219.20006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NN2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NN2)[N+](=O)[O-]

InChI

InChI=1S/C9H9N5O2/c1-6-2-4-7(5-3-6)10-8-11-9(13-12-8)14(15)16/h2-5H,1H3,(H2,10,11,12,13)