N'-(2-methylheptadecan-2-yl)-N-(2-nitrophenyl)ethane-1,2-diamine

Systemtic Name: N'-(2-methylheptadecan-2-yl)-N-(2-nitrophenyl)ethane-1,2-diamine Openeye Name: N'-(1,1-dimethylhexadecyl)-N-(2-nitrophenyl)ethane-1,2-diamine CAS Name: N'-(2-methylheptadecan-2-yl)-N-(2-nitrophenyl)ethane-1,2-diamine IUPAC Name: N'-(2-methylheptadecan-2-yl)-N-(2-nitrophenyl)ethane-1,2-diamine Traditional Name: 1,1-dimethylhexadecyl-[2-(2-nitroanilino)ethyl]amine Formula: C26H47N3O2 MolecularWeight: 433.67028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C)(C)NCCNC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(C)(C)NCCNC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C26H47N3O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-26(2,3)28-23-22-27-24-19-16-17-20-25(24)29(30)31/h16-17,19-20,27-28H,4-15,18,21-23H2,1-3H3