N-chloranyl-N-hexyl-2,3-dinitro-6-(trifluoromethyl)aniline

Systemtic Name: N-chloranyl-N-hexyl-2,3-dinitro-6-(trifluoromethyl)aniline Openeye Name: N-chloro-N-hexyl-2,3-dinitro-6-(trifluoromethyl)aniline CAS Name: N-chloro-N-hexyl-2,3-dinitro-6-(trifluoromethyl)aniline IUPAC Name: N-chloro-N-hexyl-2,3-dinitro-6-(trifluoromethyl)aniline Traditional Name: chloro-[2,3-dinitro-6-(trifluoromethyl)phenyl]-hexyl-amine Formula: C13H15ClF3N3O4 MolecularWeight: 369.72411

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClF3N3O4/c1-2-3-4-5-8-18(14)11-9(13(15,16)17)6-7-10(19(21)22)12(11)20(23)24/h6-7H,2-5,8H2,1H3