5-(2-methyl-6-nitro-phenyl)-1H-1,2,4-triazol-3-amine

Systemtic Name: 5-(2-methyl-6-nitro-phenyl)-1H-1,2,4-triazol-3-amine Openeye Name: 5-(2-methyl-6-nitro-phenyl)-1H-1,2,4-triazol-3-amine CAS Name: 5-(2-methyl-6-nitrophenyl)-1H-1,2,4-triazol-3-amine IUPAC Name: 5-(2-methyl-6-nitrophenyl)-1H-1,2,4-triazol-3-amine Traditional Name: [5-(2-methyl-6-nitro-phenyl)-1H-1,2,4-triazol-3-yl]amine Formula: C9H9N5O2 MolecularWeight: 219.20006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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