2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline

Systemtic Name: 2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline Openeye Name: 2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline CAS Name: 2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline IUPAC Name: 2,6-dinitro-N-pentyl-4-(trifluoromethyl)aniline Traditional Name: amyl-[2,6-dinitro-4-(trifluoromethyl)phenyl]amine Formula: C12H14F3N3O4 MolecularWeight: 321.25247

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCCNC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H14F3N3O4/c1-2-3-4-5-16-11-9(17(19)20)6-8(12(13,14)15)7-10(11)18(21)22/h6-7,16H,2-5H2,1H3