2-(2-methyl-4-nitro-imidazol-1-yl)-1-[4-(trifluoromethyloxy)phenyl]ethanone

Systemtic Name: 2-(2-methyl-4-nitro-imidazol-1-yl)-1-[4-(trifluoromethyloxy)phenyl]ethanone Openeye Name: 2-(2-methyl-4-nitro-imidazol-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethanone CAS Name: 2-(2-methyl-4-nitro-1-imidazolyl)-1-[4-(trifluoromethoxy)phenyl]ethanone IUPAC Name: 2-(2-methyl-4-nitroimidazol-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethanone Traditional Name: 2-(2-methyl-4-nitro-imidazol-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethanone Formula: C13H10F3N3O4 MolecularWeight: 329.23141

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1CC(=O)C2=CC=C(C=C2)OC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CN1CC(=O)C2=CC=C(C=C2)OC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H10F3N3O4/c1-8-17-12(19(21)22)7-18(8)6-11(20)9-2-4-10(5-3-9)23-13(14,15)16/h2-5,7H,6H2,1H3