(6Z)-9-azabicyclo[6.1.0]non-6-ene; 2,4,6-trinitrophenol

Systemtic Name: (6Z)-9-azabicyclo[6.1.0]non-6-ene; 2,4,6-trinitrophenol Openeye Name: (6Z)-9-azabicyclo[6.1.0]non-6-ene; picric acid CAS Name: (6Z)-9-azabicyclo[6.1.0]non-6-ene; 2,4,6-trinitrophenol IUPAC Name: (6Z)-9-azabicyclo[6.1.0]non-6-ene; 2,4,6-trinitrophenol Traditional Name: (6Z)-9-azabicyclo[6.1.0]non-6-ene; picric acid Formula: C14H16N4O7 MolecularWeight: 352.29944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(N2)C=CC1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC2C(N2)/C=C\C1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H13N.C6H3N3O7/c1-2-4-6-8-7(9-8)5-3-1;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3,5,7-9H,1-2,4,6H2;1-2,10H/b5-3-;