5-azanyl-2H-1,2,3-triazole-4-carboxamide; 2,4,6-trinitrophenol

Systemtic Name: 5-azanyl-2H-1,2,3-triazole-4-carboxamide; 2,4,6-trinitrophenol Openeye Name: 5-amino-2H-triazole-4-carboxamide; picric acid CAS Name: 5-amino-2H-triazole-4-carboxamide; 2,4,6-trinitrophenol IUPAC Name: 5-amino-2H-triazole-4-carboxamide; 2,4,6-trinitrophenol Traditional Name: 5-amino-2H-triazole-4-carboxamide; picric acid Formula: C9H8N8O8 MolecularWeight: 356.20862

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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(=NNN=C1N)C(=O)N

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1(=NNN=C1N)C(=O)N

InChI

InChI=1S/C6H3N3O7.C3H5N5O/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;4-2-1(3(5)9)6-8-7-2/h1-2,10H;(H2,5,9)(H3,4,6,7,8)