N1-hexyl-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine

Systemtic Name: N1-hexyl-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine Openeye Name: N1-hexyl-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine CAS Name: N1-hexyl-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine IUPAC Name: 1-N-hexyl-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine Traditional Name: [3-amino-2,4-dinitro-6-(trifluoromethyl)phenyl]-hexyl-amine Formula: C13H17F3N4O4 MolecularWeight: 350.29369

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=C(C(=C(C=C1C(F)(F)F)[N+](=O)[O-])N)[N+](=O)[O-]

Isomeric SMILES

CCCCCCNC1=C(C(=C(C=C1C(F)(F)F)[N+](=O)[O-])N)[N+](=O)[O-]

InChI

InChI=1S/C13H17F3N4O4/c1-2-3-4-5-6-18-11-8(13(14,15)16)7-9(19(21)22)10(17)12(11)20(23)24/h7,18H,2-6,17H2,1H3