5-[(E)-2,3-bis(oxidanyl)propoxyiminomethyl]-2-[(4-ethynyl-2-fluoranyl-phenyl)amino]-3,4-bis(fluoranyl)-N-(2-hydroxyethyloxy)benzamide

Systemtic Name: 5-[(E)-2,3-bis(oxidanyl)propoxyiminomethyl]-2-[(4-ethynyl-2-fluoranyl-phenyl)amino]-3,4-bis(fluoranyl)-N-(2-hydroxyethyloxy)benzamide Openeye Name: 5-[(E)-2,3-dihydroxypropoxyiminomethyl]-2-(4-ethynyl-2-fluoro-anilino)-3,4-difluoro-N-(2-hydroxyethoxy)benzamide CAS Name: 5-[(E)-2,3-dihydroxypropoxyiminomethyl]-2-(4-ethynyl-2-fluoroanilino)-3,4-difluoro-N-(2-hydroxyethoxy)benzamide IUPAC Name: 5-[(E)-2,3-dihydroxypropoxyiminomethyl]-2-(4-ethynyl-2-fluoroanilino)-3,4-difluoro-N-(2-hydroxyethoxy)benzamide Traditional Name: 2-(4-ethynyl-2-fluoro-anilino)-3,4-difluoro-5-[(E)-glyceryloximinomethyl]-N-(2-hydroxyethoxy)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)NOCCO)C=NOCC(CO)O)F)F)F

Isomeric SMILES

C#CC1=CC(=C(C=C1)NC2=C(C(=C(C=C2C(=O)NOCCO)/C=N/OCC(CO)O)F)F)F

InChI

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