4-(butanoylamino)-3-iodanyl-benzoic acid

Systemtic Name: 4-(butanoylamino)-3-iodanyl-benzoic acid Openeye Name: 4-(butanoylamino)-3-iodo-benzoic acid CAS Name: 3-iodo-4-(1-oxobutylamino)benzoic acid IUPAC Name: 4-(butanoylamino)-3-iodobenzoic acid Traditional Name: 4-butyramido-3-iodo-benzoic acid Formula: C11H12INO3 MolecularWeight: 333.12235

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12INO3/c1-2-3-10(14)13-9-5-4-7(11(15)16)6-8(9)12/h4-6H,2-3H2,1H3,(H,13,14)(H,15,16)