N-(3,3-dimethyl-1-oxidanyl-2,1-benzoxaborol-6-yl)-4-fluoranyl-2-(trifluoromethyl)benzamide

Systemtic Name: N-(3,3-dimethyl-1-oxidanyl-2,1-benzoxaborol-6-yl)-4-fluoranyl-2-(trifluoromethyl)benzamide Openeye Name: 4-fluoro-N-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide CAS Name: 4-fluoro-N-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide IUPAC Name: 4-fluoro-N-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide Traditional Name: 4-fluoro-N-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide Formula: C17H14BF4NO3 MolecularWeight: 367.102573

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Descriptors Computed from Structure

Canonical SMILES:

B1(C2=C(C=CC(=C2)NC(=O)C3=C(C=C(C=C3)F)C(F)(F)F)C(O1)(C)C)O

Isomeric SMILES

B1(C2=C(C=CC(=C2)NC(=O)C3=C(C=C(C=C3)F)C(F)(F)F)C(O1)(C)C)O

InChI

InChI=1S/C17H14BF4NO3/c1-16(2)12-6-4-10(8-14(12)18(25)26-16)23-15(24)11-5-3-9(19)7-13(11)17(20,21)22/h3-8,25H,1-2H3,(H,23,24)