3-pyrrolidin-2-ylpyridine; 2,4,6-trinitrophenol

Systemtic Name: 3-pyrrolidin-2-ylpyridine; 2,4,6-trinitrophenol Openeye Name: picric acid; 3-pyrrolidin-2-ylpyridine CAS Name: 3-(2-pyrrolidinyl)pyridine; 2,4,6-trinitrophenol IUPAC Name: 3-pyrrolidin-2-ylpyridine; 2,4,6-trinitrophenol Traditional Name: picric acid; 3-pyrrolidin-2-ylpyridine Formula: C21H18N8O14 MolecularWeight: 606.41282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C2=CN=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC(NC1)C2=CN=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H12N2.2C6H3N3O7/c1-3-8(7-10-5-1)9-4-2-6-11-9;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1,3,5,7,9,11H,2,4,6H2;2*1-2,10H