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

Systemtic Name: 5-iodanyl-2-[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]oxy-benzoic acid Openeye Name: 2-[2-(allylamino)-1-methyl-2-oxo-ethoxy]-5-iodo-benzoic acid CAS Name: 5-iodo-2-[1-oxo-1-(prop-2-enylamino)propan-2-yl]oxybenzoic acid IUPAC Name: 5-iodo-2-[1-oxo-1-(prop-2-enylamino)propan-2-yl]oxybenzoic acid Traditional Name: 2-[2-(allylamino)-2-keto-1-methyl-ethoxy]-5-iodo-benzoic acid Formula: C13H14INO4 MolecularWeight: 375.15903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14INO4/c1-3-6-15-12(16)8(2)19-11-5-4-9(14)7-10(11)13(17)18/h3-5,7-8H,1,6H2,2H3,(H,15,16)(H,17,18)