4-(2,2-dimethylpropanoylamino)-3-iodanyl-benzoic acid

Systemtic Name: 4-(2,2-dimethylpropanoylamino)-3-iodanyl-benzoic acid Openeye Name: 4-(2,2-dimethylpropanoylamino)-3-iodo-benzoic acid CAS Name: 4-[(2,2-dimethyl-1-oxopropyl)amino]-3-iodobenzoic acid IUPAC Name: 4-(2,2-dimethylpropanoylamino)-3-iodobenzoic acid Traditional Name: 3-iodo-4-(pivaloylamino)benzoic acid Formula: C12H14INO3 MolecularWeight: 347.14893

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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