5-iodanyl-2-[1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl]oxy-benzoic acid

Systemtic Name: 5-iodanyl-2-[1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl]oxy-benzoic acid Openeye Name: 5-iodo-2-[2-(2-methoxyethylamino)-1-methyl-2-oxo-ethoxy]benzoic acid CAS Name: 5-iodo-2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxybenzoic acid IUPAC Name: 5-iodo-2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxybenzoic acid Traditional Name: 5-iodo-2-[2-keto-2-(2-methoxyethylamino)-1-methyl-ethoxy]benzoic acid Formula: C13H16INO5 MolecularWeight: 393.17431

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCOC)OC1=C(C=C(C=C1)I)C(=O)O

Isomeric SMILES

CC(C(=O)NCCOC)OC1=C(C=C(C=C1)I)C(=O)O

InChI

InChI=1S/C13H16INO5/c1-8(12(16)15-5-6-19-2)20-11-4-3-9(14)7-10(11)13(17)18/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)(H,17,18)