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

Systemtic Name: methyl 4-[2-(bromomethyl)-4-(trifluoromethyl)phenyl]carbonyl-5-cyclopropyl-1,2-oxazole-3-carboxylate Openeye Name: methyl 4-[2-(bromomethyl)-4-(trifluoromethyl)benzoyl]-5-cyclopropyl-isoxazole-3-carboxylate CAS Name: 4-[[2-(bromomethyl)-4-(trifluoromethyl)phenyl]-oxomethyl]-5-cyclopropyl-3-isoxazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(bromomethyl)-4-(trifluoromethyl)benzoyl]-5-cyclopropyl-1,2-oxazole-3-carboxylate Traditional Name: 4-[2-(bromomethyl)-4-(trifluoromethyl)benzoyl]-5-cyclopropyl-isoxazole-3-carboxylic acid methyl ester Formula: C17H13BrF3NO4 MolecularWeight: 432.18863

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NOC(=C1C(=O)C2=C(C=C(C=C2)C(F)(F)F)CBr)C3CC3

Isomeric SMILES

COC(=O)C1=NOC(=C1C(=O)C2=C(C=C(C=C2)C(F)(F)F)CBr)C3CC3

InChI

InChI=1S/C17H13BrF3NO4/c1-25-16(24)13-12(15(26-22-13)8-2-3-8)14(23)11-5-4-10(17(19,20)21)6-9(11)7-18/h4-6,8H,2-3,7H2,1H3