N-[1,3-bis(oxidanyl)propan-2-yloxy]-2-[(4-ethynyl-2-fluoranyl-phenyl)amino]-3,4-bis(fluoranyl)-5-[(E)-2-hydroxyethyloxyiminomethyl]benzamide

Systemtic Name: N-[1,3-bis(oxidanyl)propan-2-yloxy]-2-[(4-ethynyl-2-fluoranyl-phenyl)amino]-3,4-bis(fluoranyl)-5-[(E)-2-hydroxyethyloxyiminomethyl]benzamide Openeye Name: 2-(4-ethynyl-2-fluoro-anilino)-3,4-difluoro-5-[(E)-2-hydroxyethoxyiminomethyl]-N-[2-hydroxy-1-(hydroxymethyl)ethoxy]benzamide CAS Name: N-(1,3-dihydroxypropan-2-yloxy)-2-(4-ethynyl-2-fluoroanilino)-3,4-difluoro-5-[(E)-2-hydroxyethoxyiminomethyl]benzamide IUPAC Name: N-(1,3-dihydroxypropan-2-yloxy)-2-(4-ethynyl-2-fluoroanilino)-3,4-difluoro-5-[(E)-2-hydroxyethoxyiminomethyl]benzamide Traditional Name: 2-(4-ethynyl-2-fluoro-anilino)-3,4-difluoro-5-[(E)-2-hydroxyethyloximinomethyl]-N-(2-hydroxy-1-methylol-ethoxy)benzamide Formula: C21H20F3N3O6 MolecularWeight: 467.39521

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=C(C=C1)NC2=C(C(=C(C=C2C(=O)NOC(CO)CO)C=NOCCO)F)F)F

Isomeric SMILES

C#CC1=CC(=C(C=C1)NC2=C(C(=C(C=C2C(=O)NOC(CO)CO)/C=N/OCCO)F)F)F

InChI

InChI=1S/C21H20F3N3O6/c1-2-12-3-4-17(16(22)7-12)26-20-15(21(31)27-33-14(10-29)11-30)8-13(18(23)19(20)24)9-25-32-6-5-28/h1,3-4,7-9,14,26,28-30H,5-6,10-11H2,(H,27,31)/b25-9+