methyl 4-[chloranyl-bis(fluoranyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylate

Systemtic Name: methyl 4-[chloranyl-bis(fluoranyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylate Openeye Name: methyl 4-[chloro(difluoro)methyl]-3-[4-(trifluoromethyl)phenyl]isoxazole-5-carboxylate CAS Name: 4-[chloro(difluoro)methyl]-3-[4-(trifluoromethyl)phenyl]-5-isoxazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[chloro(difluoro)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylate Traditional Name: 4-[chloro(difluoro)methyl]-3-[4-(trifluoromethyl)phenyl]isoxazole-5-carboxylic acid methyl ester Formula: C13H7ClF5NO3 MolecularWeight: 355.644596

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=NO1)C2=CC=C(C=C2)C(F)(F)F)C(F)(F)Cl

Isomeric SMILES

COC(=O)C1=C(C(=NO1)C2=CC=C(C=C2)C(F)(F)F)C(F)(F)Cl

InChI

InChI=1S/C13H7ClF5NO3/c1-22-11(21)10-8(12(14,15)16)9(20-23-10)6-2-4-7(5-3-6)13(17,18)19/h2-5H,1H3