2-[3-(methylamino)-4-nitro-phenyl]-1,3-dihydro-1,2,4-triazol-5-amine

Systemtic Name: 2-[3-(methylamino)-4-nitro-phenyl]-1,3-dihydro-1,2,4-triazol-5-amine Openeye Name: 2-[3-(methylamino)-4-nitro-phenyl]-1,3-dihydro-1,2,4-triazol-5-amine CAS Name: 2-[3-(methylamino)-4-nitrophenyl]-1,3-dihydro-1,2,4-triazol-5-amine IUPAC Name: 2-[3-(methylamino)-4-nitrophenyl]-1,3-dihydro-1,2,4-triazol-5-amine Traditional Name: [5-(5-amino-1,3-dihydro-1,2,4-triazol-2-yl)-2-nitro-phenyl]-methyl-amine Formula: C9H12N6O2 MolecularWeight: 236.23058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC(=C1)N2CN=C(N2)N)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=CC(=C1)N2CN=C(N2)N)[N+](=O)[O-]

InChI

InChI=1S/C9H12N6O2/c1-11-7-4-6(2-3-8(7)15(16)17)14-5-12-9(10)13-14/h2-4,11H,5H2,1H3,(H3,10,12,13)