N'-(3-methyl-5-nitro-imidazol-4-yl)-N-[5-(trifluoromethyl)pyridin-2-yl]propane-1,3-diamine

Systemtic Name: N'-(3-methyl-5-nitro-imidazol-4-yl)-N-[5-(trifluoromethyl)pyridin-2-yl]propane-1,3-diamine Openeye Name: N'-(3-methyl-5-nitro-imidazol-4-yl)-N-[5-(trifluoromethyl)-2-pyridyl]propane-1,3-diamine CAS Name: N'-(3-methyl-5-nitro-4-imidazolyl)-N-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine IUPAC Name: N'-(3-methyl-5-nitroimidazol-4-yl)-N-[5-(trifluoromethyl)pyridin-2-yl]propane-1,3-diamine Traditional Name: (3-methyl-5-nitro-imidazol-4-yl)-[3-[[5-(trifluoromethyl)-2-pyridyl]amino]propyl]amine Formula: C13H15F3N6O2 MolecularWeight: 344.29241

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1NCCCNC2=NC=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1NCCCNC2=NC=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H15F3N6O2/c1-21-8-20-12(22(23)24)11(21)18-6-2-5-17-10-4-3-9(7-19-10)13(14,15)16/h3-4,7-8,18H,2,5-6H2,1H3,(H,17,19)