2-quinolin-2-ylethanenitrile; 2,4,6-trinitrophenol

Systemtic Name: 2-quinolin-2-ylethanenitrile; 2,4,6-trinitrophenol Openeye Name: picric acid; 2-(2-quinolyl)acetonitrile CAS Name: 2-(2-quinolinyl)acetonitrile; 2,4,6-trinitrophenol IUPAC Name: 2-quinolin-2-ylacetonitrile; 2,4,6-trinitrophenol Traditional Name: picric acid; 2-(2-quinolyl)acetonitrile Formula: C17H11N5O7 MolecularWeight: 397.29854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)CC#N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)CC#N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H8N2.C6H3N3O7/c12-8-7-10-6-5-9-3-1-2-4-11(9)13-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-6H,7H2;1-2,10H