N'-[2-nitro-4-(trifluoromethyl)phenyl]hexane-1,6-diamine hydrochloride

Systemtic Name: N'-[2-nitro-4-(trifluoromethyl)phenyl]hexane-1,6-diamine hydrochloride Openeye Name: N'-[2-nitro-4-(trifluoromethyl)phenyl]hexane-1,6-diamine hydrochloride CAS Name: N'-[2-nitro-4-(trifluoromethyl)phenyl]hexane-1,6-diamine hydrochloride IUPAC Name: N'-[2-nitro-4-(trifluoromethyl)phenyl]hexane-1,6-diamine hydrochloride Traditional Name: 6-aminohexyl-[2-nitro-4-(trifluoromethyl)phenyl]amine hydrochloride Formula: C13H19ClF3N3O2 MolecularWeight: 341.75707

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NCCCCCCN.Cl

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NCCCCCCN.Cl

InChI

InChI=1S/C13H18F3N3O2.ClH/c14-13(15,16)10-5-6-11(12(9-10)19(20)21)18-8-4-2-1-3-7-17;/h5-6,9,18H,1-4,7-8,17H2;1H