N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline

Systemtic Name: N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline Openeye Name: N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline CAS Name: N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline IUPAC Name: N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline Traditional Name: butyl-[2,6-dinitro-4-(trifluoromethyl)phenyl]-ethyl-amine Formula: C26H32F6N6O8 MolecularWeight: 670.558099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-].CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-].CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/2C13H16F3N3O4/c2*1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h2*7-8H,3-6H2,1-2H3