1-[3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenyl]carbonyl-N-[2,3-bis(oxidanyl)propyl]azetidine-3-carboxamide

Systemtic Name: 1-[3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenyl]carbonyl-N-[2,3-bis(oxidanyl)propyl]azetidine-3-carboxamide Openeye Name: 1-[3,4-difluoro-2-(2-fluoro-4-iodo-anilino)benzoyl]-N-(2,3-dihydroxypropyl)azetidine-3-carboxamide CAS Name: 1-[[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-oxomethyl]-N-(2,3-dihydroxypropyl)-3-azetidinecarboxamide IUPAC Name: 1-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoyl]-N-(2,3-dihydroxypropyl)azetidine-3-carboxamide Traditional Name: 1-[3,4-difluoro-2-(2-fluoro-4-iodo-anilino)benzoyl]-N-glyceryl-azetidine-3-carboxamide Formula: C20H19F3IN3O4 MolecularWeight: 549.28224

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1C(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)F)C(=O)NCC(CO)O

Isomeric SMILES

C1C(CN1C(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)F)C(=O)NCC(CO)O

InChI

InChI=1S/C20H19F3IN3O4/c21-14-3-2-13(18(17(14)23)26-16-4-1-11(24)5-15(16)22)20(31)27-7-10(8-27)19(30)25-6-12(29)9-28/h1-5,10,12,26,28-29H,6-9H2,(H,25,30)