1-azabicyclo[2.2.2]octan-3-one; 2,4,6-trinitrophenol

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-one; 2,4,6-trinitrophenol Openeye Name: picric acid; quinuclidin-3-one CAS Name: 1-azabicyclo[2.2.2]octan-3-one; 2,4,6-trinitrophenol IUPAC Name: 1-azabicyclo[2.2.2]octan-3-one; 2,4,6-trinitrophenol Traditional Name: picric acid; quinuclidin-3-one Formula: C13H14N4O8 MolecularWeight: 354.27226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(=O)C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN2CCC1C(=O)C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H11NO.C6H3N3O7/c9-7-5-8-3-1-6(7)2-4-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6H,1-5H2;1-2,10H