3-pyridin-3-ylpropanenitrile; 2,4,6-trinitrophenol

Systemtic Name: 3-pyridin-3-ylpropanenitrile; 2,4,6-trinitrophenol Openeye Name: picric acid; 3-(3-pyridyl)propanenitrile CAS Name: 3-(3-pyridinyl)propanenitrile; 2,4,6-trinitrophenol IUPAC Name: 3-pyridin-3-ylpropanenitrile; 2,4,6-trinitrophenol Traditional Name: picric acid; 3-(3-pyridyl)propionitrile Formula: C14H11N5O7 MolecularWeight: 361.26644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8N2.C6H3N3O7/c9-5-1-3-8-4-2-6-10-7-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2,4,6-7H,1,3H2;1-2,10H