5-nitro-3,7-bis(phenylmethyl)-1,3,7-triazabicyclo[3.3.1]nonane

Systemtic Name: 5-nitro-3,7-bis(phenylmethyl)-1,3,7-triazabicyclo[3.3.1]nonane Openeye Name: 3,7-dibenzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane CAS Name: 5-nitro-3,7-bis(phenylmethyl)-1,3,7-triazabicyclo[3.3.1]nonane IUPAC Name: 3,7-dibenzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane Traditional Name: 3,7-dibenzyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane Formula: C20H24N4O2 MolecularWeight: 352.43016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2(CN(CN1CN(C2)CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2(CN(CN1CN(C2)CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O2/c25-24(26)20-13-21(11-18-7-3-1-4-8-18)16-23(15-20)17-22(14-20)12-19-9-5-2-6-10-19/h1-10H,11-17H2