2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]-1-ethyl-5-nitro-imidazole

Systemtic Name: 2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]-1-ethyl-5-nitro-imidazole Openeye Name: 2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]-1-ethyl-5-nitro-imidazole CAS Name: 2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]-1-ethyl-5-nitroimidazole IUPAC Name: 2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]-1-ethyl-5-nitroimidazole Traditional Name: 2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]-1-ethyl-5-nitro-imidazole Formula: C14H11F6N3O3 MolecularWeight: 383.245859

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1COC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=CN=C1COC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H11F6N3O3/c1-2-22-11(21-6-12(22)23(24)25)7-26-10-4-8(13(15,16)17)3-9(5-10)14(18,19)20/h3-6H,2,7H2,1H3