8-methyl-8-azabicyclo[3.2.1]octan-3-one; 2,4,6-trinitrophenol

Systemtic Name: 8-methyl-8-azabicyclo[3.2.1]octan-3-one; 2,4,6-trinitrophenol Openeye Name: 8-methyl-8-azabicyclo[3.2.1]octan-3-one; picric acid CAS Name: 8-methyl-8-azabicyclo[3.2.1]octan-3-one; 2,4,6-trinitrophenol IUPAC Name: 8-methyl-8-azabicyclo[3.2.1]octan-3-one; 2,4,6-trinitrophenol Traditional Name: 8-methyl-8-azabicyclo[3.2.1]octan-3-one; picric acid Formula: C14H16N4O8 MolecularWeight: 368.29884

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1CC(=O)C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C2CCC1CC(=O)C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H13NO.C6H3N3O7/c1-9-6-2-3-7(9)5-8(10)4-6;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-7H,2-5H2,1H3;1-2,10H