2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]-hexyl-amino]ethanol

Systemtic Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]-hexyl-amino]ethanol Openeye Name: 2-[N-hexyl-2,6-dinitro-4-(trifluoromethyl)anilino]ethanol CAS Name: 2-[N-hexyl-2,6-dinitro-4-(trifluoromethyl)anilino]ethanol IUPAC Name: 2-[N-hexyl-2,6-dinitro-4-(trifluoromethyl)anilino]ethanol Traditional Name: 2-[N-hexyl-2,6-dinitro-4-(trifluoromethyl)anilino]ethanol Formula: C15H20F3N3O5 MolecularWeight: 379.33161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCO)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCCCN(CCO)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H20F3N3O5/c1-2-3-4-5-6-19(7-8-22)14-12(20(23)24)9-11(15(16,17)18)10-13(14)21(25)26/h9-10,22H,2-8H2,1H3