3-(1-methylpyrrol-2-yl)pyridine; 2,4,6-trinitrophenol

Systemtic Name: 3-(1-methylpyrrol-2-yl)pyridine; 2,4,6-trinitrophenol Openeye Name: 3-(1-methylpyrrol-2-yl)pyridine; picric acid CAS Name: 3-(1-methyl-2-pyrrolyl)pyridine; 2,4,6-trinitrophenol IUPAC Name: 3-(1-methylpyrrol-2-yl)pyridine; 2,4,6-trinitrophenol Traditional Name: 3-(1-methylpyrrol-2-yl)pyridine; picric acid Formula: C22H16N8O14 MolecularWeight: 616.40764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2=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

CN1C=CC=C1C2=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/C10H10N2.2C6H3N3O7/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-8H,1H3;2*1-2,10H