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

Systemtic Name: N'-(3-methyl-5-nitro-imidazol-4-yl)-N-[5-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine Openeye Name: N'-(3-methyl-5-nitro-imidazol-4-yl)-N-[5-(trifluoromethyl)-2-pyridyl]ethane-1,2-diamine CAS Name: N'-(3-methyl-5-nitro-4-imidazolyl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine IUPAC Name: N'-(3-methyl-5-nitroimidazol-4-yl)-N-[5-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine Traditional Name: (3-methyl-5-nitro-imidazol-4-yl)-[2-[[5-(trifluoromethyl)-2-pyridyl]amino]ethyl]amine Formula: C12H13F3N6O2 MolecularWeight: 330.26583

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1NCCNC2=NC=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1NCCNC2=NC=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H13F3N6O2/c1-20-7-19-11(21(22)23)10(20)17-5-4-16-9-3-2-8(6-18-9)12(13,14)15/h2-3,6-7,17H,4-5H2,1H3,(H,16,18)