(2S)-3-(4-acetamidophenoxy)-N-(3-iodanyl-4-nitro-phenyl)-2-methyl-2-oxidanyl-propanamide

Systemtic Name: (2S)-3-(4-acetamidophenoxy)-N-(3-iodanyl-4-nitro-phenyl)-2-methyl-2-oxidanyl-propanamide Openeye Name: (2S)-3-(4-acetamidophenoxy)-2-hydroxy-N-(3-iodanyl-4-nitro-phenyl)-2-methyl-propanamide CAS Name: (2S)-3-(4-acetamidophenoxy)-2-hydroxy-N-(3-iodanyl-4-nitrophenyl)-2-methylpropanamide IUPAC Name: (2S)-3-(4-acetamidophenoxy)-2-hydroxy-N-(3-iodanyl-4-nitrophenyl)-2-methylpropanamide Traditional Name: (2S)-3-(4-acetamidophenoxy)-2-hydroxy-N-(3-iodanyl-4-nitro-phenyl)-2-methyl-propionamide Formula: C18H18IN3O6 MolecularWeight: 497.256644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OCC(C)(C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])I)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC[C@@](C)(C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])[125I])O

InChI

InChI=1S/C18H18IN3O6/c1-11(23)20-12-3-6-14(7-4-12)28-10-18(2,25)17(24)21-13-5-8-16(22(26)27)15(19)9-13/h3-9,25H,10H2,1-2H3,(H,20,23)(H,21,24)/t18-/m0/s1/i19-2