ethyl 5-cyclopropyl-4-[4-fluoranyl-2-(trifluoromethyl)phenyl]carbonyl-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl 5-cyclopropyl-4-[4-fluoranyl-2-(trifluoromethyl)phenyl]carbonyl-1,2-oxazole-3-carboxylate Openeye Name: ethyl 5-cyclopropyl-4-[4-fluoro-2-(trifluoromethyl)benzoyl]isoxazole-3-carboxylate CAS Name: 5-cyclopropyl-4-[[4-fluoro-2-(trifluoromethyl)phenyl]-oxomethyl]-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyclopropyl-4-[4-fluoro-2-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carboxylate Traditional Name: 5-cyclopropyl-4-[4-fluoro-2-(trifluoromethyl)benzoyl]isoxazole-3-carboxylic acid ethyl ester Formula: C17H13F4NO4 MolecularWeight: 371.283033

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(=C1C(=O)C2=C(C=C(C=C2)F)C(F)(F)F)C3CC3

Isomeric SMILES

CCOC(=O)C1=NOC(=C1C(=O)C2=C(C=C(C=C2)F)C(F)(F)F)C3CC3

InChI

InChI=1S/C17H13F4NO4/c1-2-25-16(24)13-12(15(26-22-13)8-3-4-8)14(23)10-6-5-9(18)7-11(10)17(19,20)21/h5-8H,2-4H2,1H3