diazonio(2-pyridin-4-ylethyl)azanide; 2,4,6-trinitrophenol

Systemtic Name: diazonio(2-pyridin-4-ylethyl)azanide; 2,4,6-trinitrophenol Openeye Name: diazonio-[2-(4-pyridyl)ethyl]azanide; picric acid CAS Name: diazonio(2-pyridin-4-ylethyl)azanide; 2,4,6-trinitrophenol IUPAC Name: diazonio(2-pyridin-4-ylethyl)azanide; 2,4,6-trinitrophenol Traditional Name: diazonio-[2-(4-pyridyl)ethyl]azanide; picric acid Formula: C13H11N7O7 MolecularWeight: 377.26914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CC[N-][N+]#N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CN=CC=C1CC[N-][N+]#N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H8N4.C6H3N3O7/c8-11-10-6-3-7-1-4-9-5-2-7;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,4-5H,3,6H2;1-2,10H