3,7-diazabicyclo[3.3.1]nonane; 2,4,6-trinitrophenol

Systemtic Name: 3,7-diazabicyclo[3.3.1]nonane; 2,4,6-trinitrophenol Openeye Name: 3,7-diazabicyclo[3.3.1]nonane; picric acid CAS Name: 3,7-diazabicyclo[3.3.1]nonane; 2,4,6-trinitrophenol IUPAC Name: 3,7-diazabicyclo[3.3.1]nonane; 2,4,6-trinitrophenol Traditional Name: 3,7-diazabicyclo[3.3.1]nonane; picric acid Formula: C13H17N5O7 MolecularWeight: 355.30338

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CNCC1CNC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C2CNCC1CNC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H14N2.C6H3N3O7/c1-6-2-8-4-7(1)5-9-3-6;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-9H,1-5H2;1-2,10H