N1'-(3,3-dimethylbutan-2-yl)-2-nitro-N1-pyridin-3-yl-ethane-1,1-diamine

Systemtic Name: N1'-(3,3-dimethylbutan-2-yl)-2-nitro-N1-pyridin-3-yl-ethane-1,1-diamine Openeye Name: 2-nitro-N1-(3-pyridyl)-N1'-(1,2,2-trimethylpropyl)ethane-1,1-diamine CAS Name: N1'-(3,3-dimethylbutan-2-yl)-2-nitro-N1-(3-pyridinyl)ethane-1,1-diamine IUPAC Name: 1-N'-(3,3-dimethylbutan-2-yl)-2-nitro-1-N-pyridin-3-ylethane-1,1-diamine Traditional Name: [2-nitro-1-(3-pyridylamino)ethyl]-(1,2,2-trimethylpropyl)amine Formula: C13H22N4O2 MolecularWeight: 266.33938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C)NC(C[N+](=O)[O-])NC1=CN=CC=C1

Isomeric SMILES

CC(C(C)(C)C)NC(C[N+](=O)[O-])NC1=CN=CC=C1

InChI

InChI=1S/C13H22N4O2/c1-10(13(2,3)4)15-12(9-17(18)19)16-11-6-5-7-14-8-11/h5-8,10,12,15-16H,9H2,1-4H3