1-(2-piperidin-4-ylethyl)urea; 2,4,6-trinitrophenol

Systemtic Name: 1-(2-piperidin-4-ylethyl)urea; 2,4,6-trinitrophenol Openeye Name: picric acid; 2-(4-piperidyl)ethylurea CAS Name: 2-(4-piperidinyl)ethylurea; 2,4,6-trinitrophenol IUPAC Name: 2-piperidin-4-ylethylurea; 2,4,6-trinitrophenol Traditional Name: picric acid; 2-(4-piperidyl)ethylurea Formula: C14H20N6O8 MolecularWeight: 400.344

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCNC(=O)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CNCCC1CCNC(=O)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H17N3O.C6H3N3O7/c9-8(12)11-6-3-7-1-4-10-5-2-7;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h7,10H,1-6H2,(H3,9,11,12);1-2,10H