2-(4-nitroimidazol-1-yl)-N-[2,2,2-tris(fluoranyl)ethyl]octanamide

Systemtic Name: 2-(4-nitroimidazol-1-yl)-N-[2,2,2-tris(fluoranyl)ethyl]octanamide Openeye Name: 2-(4-nitroimidazol-1-yl)-N-(2,2,2-trifluoroethyl)octanamide CAS Name: 2-(4-nitro-1-imidazolyl)-N-(2,2,2-trifluoroethyl)octanamide IUPAC Name: 2-(4-nitroimidazol-1-yl)-N-(2,2,2-trifluoroethyl)octanamide Traditional Name: 2-(4-nitroimidazol-1-yl)-N-(2,2,2-trifluoroethyl)caprylamide Formula: C13H19F3N4O3 MolecularWeight: 336.31017

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)NCC(F)(F)F)N1C=C(N=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(C(=O)NCC(F)(F)F)N1C=C(N=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H19F3N4O3/c1-2-3-4-5-6-10(12(21)17-8-13(14,15)16)19-7-11(18-9-19)20(22)23/h7,9-10H,2-6,8H2,1H3,(H,17,21)