4-[2-(4-phenyl-1,2,3-triazol-1-yl)ethyl]pyridine; 2,4,6-trinitrophenol

Systemtic Name: 4-[2-(4-phenyl-1,2,3-triazol-1-yl)ethyl]pyridine; 2,4,6-trinitrophenol Openeye Name: 4-[2-(4-phenyltriazol-1-yl)ethyl]pyridine; picric acid CAS Name: 4-[2-(4-phenyl-1-triazolyl)ethyl]pyridine; 2,4,6-trinitrophenol IUPAC Name: 4-[2-(4-phenyltriazol-1-yl)ethyl]pyridine; 2,4,6-trinitrophenol Traditional Name: 4-[2-(4-phenyltriazol-1-yl)ethyl]pyridine; picric acid Formula: C21H17N7O7 MolecularWeight: 479.40238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(N=N2)CCC3=CC=NC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(N=N2)CCC3=CC=NC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H14N4.C6H3N3O7/c1-2-4-14(5-3-1)15-12-19(18-17-15)11-8-13-6-9-16-10-7-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-7,9-10,12H,8,11H2;1-2,10H