9-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine; 2,4,6-trinitrophenol

Systemtic Name: 9-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine; 2,4,6-trinitrophenol Openeye Name: 9-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine; picric acid CAS Name: 9-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine; 2,4,6-trinitrophenol IUPAC Name: 9-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine; 2,4,6-trinitrophenol Traditional Name: 9-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrol[1,2-a]azepine; picric acid Formula: C16H22N4O7 MolecularWeight: 382.36848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN2C1CCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN2C1CCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H19N.C6H3N3O7/c1-9-5-2-3-7-11-8-4-6-10(9)11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h9-10H,2-8H2,1H3;1-2,10H