5-methyl-1-aza-5-azoniabicyclo[3.2.2]nonane; 2,4,6-trinitrophenol

Systemtic Name: 5-methyl-1-aza-5-azoniabicyclo[3.2.2]nonane; 2,4,6-trinitrophenol Openeye Name: 5-methyl-1-aza-5-azoniabicyclo[3.2.2]nonane; picric acid CAS Name: 5-methyl-1-aza-5-azoniabicyclo[3.2.2]nonane; 2,4,6-trinitrophenol IUPAC Name: 5-methyl-1-aza-5-azoniabicyclo[3.2.2]nonane; 2,4,6-trinitrophenol Traditional Name: 5-methyl-1-aza-5-azoniabicyclo[3.2.2]nonane; picric acid Formula: C14H20N5O7+ MolecularWeight: 370.3379

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCCN(CC1)CC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[N+]12CCCN(CC1)CC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H17N2.C6H3N3O7/c1-10-6-2-3-9(4-7-10)5-8-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-8H2,1H3;1-2,10H/q+1;