2-[[3,5-bis(iodanyl)-2-oxidanyl-phenyl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[3,5-bis(iodanyl)-2-oxidanyl-phenyl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(2-hydroxy-3,5-diiodo-benzoyl)amino]-3-methyl-butanoic acid CAS Name: 2-[[(2-hydroxy-3,5-diiodophenyl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(2-hydroxy-3,5-diiodobenzoyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(2-hydroxy-3,5-diiodo-benzoyl)amino]-3-methyl-butyric acid Formula: C12H13I2NO4 MolecularWeight: 489.04486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC(=CC(=C1O)I)I

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1=CC(=CC(=C1O)I)I

InChI

InChI=1S/C12H13I2NO4/c1-5(2)9(12(18)19)15-11(17)7-3-6(13)4-8(14)10(7)16/h3-5,9,16H,1-2H3,(H,15,17)(H,18,19)