N3-(2,4,6-trinitrophenyl)-1H-1,2,4-triazole-3,5-diamine

Systemtic Name: N3-(2,4,6-trinitrophenyl)-1H-1,2,4-triazole-3,5-diamine Openeye Name: N3-(2,4,6-trinitrophenyl)-1H-1,2,4-triazole-3,5-diamine CAS Name: N3-(2,4,6-trinitrophenyl)-1H-1,2,4-triazole-3,5-diamine IUPAC Name: 3-N-(2,4,6-trinitrophenyl)-1H-1,2,4-triazole-3,5-diamine Traditional Name: (5-amino-1H-1,2,4-triazol-3-yl)-picryl-amine Formula: C8H6N8O6 MolecularWeight: 310.18324

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])NC2=NNC(=N2)N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])NC2=NNC(=N2)N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H6N8O6/c9-7-11-8(13-12-7)10-6-4(15(19)20)1-3(14(17)18)2-5(6)16(21)22/h1-2H,(H4,9,10,11,12,13)