5-iodanyl-2-[(3-methyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]benzoic acid

Systemtic Name: 5-iodanyl-2-[(3-methyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]benzoic acid Openeye Name: 2-[(4-hydroxy-3-methyl-4-oxo-butanoyl)amino]-5-iodo-benzoic acid CAS Name: 2-[(4-hydroxy-3-methyl-1,4-dioxobutyl)amino]-5-iodobenzoic acid IUPAC Name: 2-[(4-hydroxy-3-methyl-4-oxobutanoyl)amino]-5-iodobenzoic acid Traditional Name: 2-[(4-hydroxy-4-keto-3-methyl-butanoyl)amino]-5-iodo-benzoic acid Formula: C12H12INO5 MolecularWeight: 377.13185

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=C(C=C(C=C1)I)C(=O)O)C(=O)O

Isomeric SMILES

CC(CC(=O)NC1=C(C=C(C=C1)I)C(=O)O)C(=O)O

InChI

InChI=1S/C12H12INO5/c1-6(11(16)17)4-10(15)14-9-3-2-7(13)5-8(9)12(18)19/h2-3,5-6H,4H2,1H3,(H,14,15)(H,16,17)(H,18,19)