1H-1,2,4-triazol-5-amine; 2,4,6-trinitrophenol

Systemtic Name: 1H-1,2,4-triazol-5-amine; 2,4,6-trinitrophenol Openeye Name: picric acid; 1H-1,2,4-triazol-5-amine CAS Name: 1H-1,2,4-triazol-5-amine; 2,4,6-trinitrophenol IUPAC Name: 1H-1,2,4-triazol-5-amine; 2,4,6-trinitrophenol Traditional Name: picric acid; 1H-1,2,4-triazol-5-ylamine Formula: C8H7N7O7 MolecularWeight: 313.18388

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=NNC(=N1)N

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=NNC(=N1)N

InChI

InChI=1S/C6H3N3O7.C2H4N4/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;3-2-4-1-5-6-2/h1-2,10H;1H,(H3,3,4,5,6)