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

Systemtic Name: N-[2,3-bis(oxidanyl)propoxy]-4-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide Openeye Name: 4-(4-bromo-2-fluoro-anilino)-N-(2,3-dihydroxypropoxy)-1-methyl-6-oxo-pyridine-3-carboxamide CAS Name: 4-(4-bromo-2-fluoroanilino)-N-(2,3-dihydroxypropoxy)-1-methyl-6-oxo-3-pyridinecarboxamide IUPAC Name: 4-(4-bromo-2-fluoroanilino)-N-(2,3-dihydroxypropoxy)-1-methyl-6-oxopyridine-3-carboxamide Traditional Name: 4-(4-bromo-2-fluoro-anilino)-N-glyceryloxy-6-keto-1-methyl-nicotinamide Formula: C16H17BrFN3O5 MolecularWeight: 430.225683

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=CC1=O)NC2=C(C=C(C=C2)Br)F)C(=O)NOCC(CO)O

Isomeric SMILES

CN1C=C(C(=CC1=O)NC2=C(C=C(C=C2)Br)F)C(=O)NOCC(CO)O

InChI

InChI=1S/C16H17BrFN3O5/c1-21-6-11(16(25)20-26-8-10(23)7-22)14(5-15(21)24)19-13-3-2-9(17)4-12(13)18/h2-6,10,19,22-23H,7-8H2,1H3,(H,20,25)