N-[2,3-bis(oxidanyl)propyl]-5-ethanoyl-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]-1-methyl-pyrrole-3-carboxamide

Systemtic Name: N-[2,3-bis(oxidanyl)propyl]-5-ethanoyl-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]-1-methyl-pyrrole-3-carboxamide Openeye Name: 5-acetyl-N-(2,3-dihydroxypropyl)-2-(2-fluoro-4-iodo-anilino)-1-methyl-pyrrole-3-carboxamide CAS Name: 5-acetyl-N-(2,3-dihydroxypropyl)-2-(2-fluoro-4-iodoanilino)-1-methyl-3-pyrrolecarboxamide IUPAC Name: 5-acetyl-N-(2,3-dihydroxypropyl)-2-(2-fluoro-4-iodoanilino)-1-methylpyrrole-3-carboxamide Traditional Name: 5-acetyl-2-(2-fluoro-4-iodo-anilino)-N-glyceryl-1-methyl-pyrrole-3-carboxamide Formula: C17H19FIN3O4 MolecularWeight: 475.253333

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(N1C)NC2=C(C=C(C=C2)I)F)C(=O)NCC(CO)O

Isomeric SMILES

CC(=O)C1=CC(=C(N1C)NC2=C(C=C(C=C2)I)F)C(=O)NCC(CO)O

InChI

InChI=1S/C17H19FIN3O4/c1-9(24)15-6-12(17(26)20-7-11(25)8-23)16(22(15)2)21-14-4-3-10(19)5-13(14)18/h3-6,11,21,23,25H,7-8H2,1-2H3,(H,20,26)