2-piperidin-3-ylpiperidine; 2,4,6-trinitrophenol

Systemtic Name: 2-piperidin-3-ylpiperidine; 2,4,6-trinitrophenol Openeye Name: picric acid; 2-(3-piperidyl)piperidine CAS Name: 2-(3-piperidinyl)piperidine; 2,4,6-trinitrophenol IUPAC Name: 2-piperidin-3-ylpiperidine; 2,4,6-trinitrophenol Traditional Name: picric acid; 2-(3-piperidyl)piperidine Formula: C16H23N5O7 MolecularWeight: 397.38312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(C1)C2CCCNC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCNC(C1)C2CCCNC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H20N2.C6H3N3O7/c1-2-7-12-10(5-1)9-4-3-6-11-8-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h9-12H,1-8H2;1-2,10H