1-methyl-4-phenyl-piperidine-4-carbonitrile; 2,4,6-trinitrophenol

Systemtic Name: 1-methyl-4-phenyl-piperidine-4-carbonitrile; 2,4,6-trinitrophenol Openeye Name: 1-methyl-4-phenyl-piperidine-4-carbonitrile; picric acid CAS Name: 1-methyl-4-phenyl-4-piperidinecarbonitrile; 2,4,6-trinitrophenol IUPAC Name: 1-methyl-4-phenylpiperidine-4-carbonitrile; 2,4,6-trinitrophenol Traditional Name: 1-methyl-4-phenyl-isonipecotonitrile; picric acid Formula: C19H19N5O7 MolecularWeight: 429.38346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(C#N)C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1CCC(CC1)(C#N)C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H16N2.C6H3N3O7/c1-15-9-7-13(11-14,8-10-15)12-5-3-2-4-6-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-6H,7-10H2,1H3;1-2,10H