2-(2,2-dimethylpropanoylamino)-5-iodanyl-benzoate

Systemtic Name: 2-(2,2-dimethylpropanoylamino)-5-iodanyl-benzoate Openeye Name: 2-(2,2-dimethylpropanoylamino)-5-iodo-benzoate CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]-5-iodobenzoate IUPAC Name: 2-(2,2-dimethylpropanoylamino)-5-iodobenzoate Traditional Name: 5-iodo-2-(pivaloylamino)benzoate Formula: C12H13INO3- MolecularWeight: 346.14099

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=C(C=C(C=C1)I)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)NC1=C(C=C(C=C1)I)C(=O)[O-]

InChI

InChI=1S/C12H14INO3/c1-12(2,3)11(17)14-9-5-4-7(13)6-8(9)10(15)16/h4-6H,1-3H3,(H,14,17)(H,15,16)/p-1