2-(1-ethyl-5-nitro-imidazol-4-yl)-1-[2-(trifluoromethyl)quinolin-4-yl]ethanone

Systemtic Name: 2-(1-ethyl-5-nitro-imidazol-4-yl)-1-[2-(trifluoromethyl)quinolin-4-yl]ethanone Openeye Name: 2-(1-ethyl-5-nitro-imidazol-4-yl)-1-[2-(trifluoromethyl)-4-quinolyl]ethanone CAS Name: 2-(1-ethyl-5-nitro-4-imidazolyl)-1-[2-(trifluoromethyl)-4-quinolinyl]ethanone IUPAC Name: 2-(1-ethyl-5-nitroimidazol-4-yl)-1-[2-(trifluoromethyl)quinolin-4-yl]ethanone Traditional Name: 2-(1-ethyl-5-nitro-imidazol-4-yl)-1-[2-(trifluoromethyl)-4-quinolyl]ethanone Formula: C17H13F3N4O3 MolecularWeight: 378.30533

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC(=C1[N+](=O)[O-])CC(=O)C2=CC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CCN1C=NC(=C1[N+](=O)[O-])CC(=O)C2=CC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C17H13F3N4O3/c1-2-23-9-21-13(16(23)24(26)27)8-14(25)11-7-15(17(18,19)20)22-12-6-4-3-5-10(11)12/h3-7,9H,2,8H2,1H3