N-[2,3-bis(oxidanyl)propyl]-4-[(2-fluoranyl-4-iodanyl-phenyl)amino]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: N-[2,3-bis(oxidanyl)propyl]-4-[(2-fluoranyl-4-iodanyl-phenyl)amino]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-(2,3-dihydroxypropyl)-4-(2-fluoro-4-iodo-anilino)-1-methyl-6-oxo-pyridine-3-carboxamide CAS Name: N-(2,3-dihydroxypropyl)-4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-3-pyridinecarboxamide IUPAC Name: N-(2,3-dihydroxypropyl)-4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide Traditional Name: 4-(2-fluoro-4-iodo-anilino)-N-glyceryl-6-keto-1-methyl-nicotinamide Formula: C16H17FIN3O4 MolecularWeight: 461.226753

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=CC1=O)NC2=C(C=C(C=C2)I)F)C(=O)NCC(CO)O

Isomeric SMILES

CN1C=C(C(=CC1=O)NC2=C(C=C(C=C2)I)F)C(=O)NCC(CO)O

InChI

InChI=1S/C16H17FIN3O4/c1-21-7-11(16(25)19-6-10(23)8-22)14(5-15(21)24)20-13-3-2-9(18)4-12(13)17/h2-5,7,10,20,22-23H,6,8H2,1H3,(H,19,25)