7-pyrrolidin-1-ylbicyclo[4.3.1]decan-10-one; 2,4,6-trinitrophenol

Systemtic Name: 7-pyrrolidin-1-ylbicyclo[4.3.1]decan-10-one; 2,4,6-trinitrophenol Openeye Name: picric acid; 7-pyrrolidin-1-ylbicyclo[4.3.1]decan-10-one CAS Name: 7-(1-pyrrolidinyl)-10-bicyclo[4.3.1]decanone; 2,4,6-trinitrophenol IUPAC Name: 7-pyrrolidin-1-ylbicyclo[4.3.1]decan-10-one; 2,4,6-trinitrophenol Traditional Name: picric acid; 7-pyrrolidinobicyclo[4.3.1]decan-10-one Formula: C20H26N4O8 MolecularWeight: 450.44244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(CCC(C1)C2=O)N3CCCC3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC2C(CCC(C1)C2=O)N3CCCC3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H23NO.C6H3N3O7/c16-14-11-5-1-2-6-12(14)13(8-7-11)15-9-3-4-10-15;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h11-13H,1-10H2;1-2,10H