1-methyl-3,6-dihydro-2H-pyridine-5-carbonitrile; 2,4,6-trinitrophenol

Systemtic Name: 1-methyl-3,6-dihydro-2H-pyridine-5-carbonitrile; 2,4,6-trinitrophenol Openeye Name: 1-methyl-3,6-dihydro-2H-pyridine-5-carbonitrile; picric acid CAS Name: 1-methyl-3,6-dihydro-2H-pyridine-5-carbonitrile; 2,4,6-trinitrophenol IUPAC Name: 1-methyl-3,6-dihydro-2H-pyridine-5-carbonitrile; 2,4,6-trinitrophenol Traditional Name: 1-methyl-3,6-dihydro-2H-pyridine-5-carbonitrile; picric acid Formula: C13H13N5O7 MolecularWeight: 351.27162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC=C(C1)C#N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1CCC=C(C1)C#N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H10N2.C6H3N3O7/c1-9-4-2-3-7(5-8)6-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3H,2,4,6H2,1H3;1-2,10H