3-butyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene-7-carboxylic acid

Systemtic Name: 3-butyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene-7-carboxylic acid Openeye Name: 3-butyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene-7-carboxylic acid CAS Name: 3-butyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene-7-carboxylic acid IUPAC Name: 3-butyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene-7-carboxylic acid Traditional Name: 3-butyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene-7-carboxylic acid Formula: C13H19N3O6 MolecularWeight: 313.30646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC2(CC(=CC(C2)(C1)[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCN1CC2(CC(=CC(C2)(C1)[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O6/c1-2-3-4-14-8-12(15(19)20)5-10(11(17)18)6-13(7-12,9-14)16(21)22/h5H,2-4,6-9H2,1H3,(H,17,18)