4-(3-iodanylpropanoylamino)-2-methyl-benzoic acid

Systemtic Name: 4-(3-iodanylpropanoylamino)-2-methyl-benzoic acid Openeye Name: 4-(3-iodopropanoylamino)-2-methyl-benzoic acid CAS Name: 4-[(3-iodo-1-oxopropyl)amino]-2-methylbenzoic acid IUPAC Name: 4-(3-iodopropanoylamino)-2-methylbenzoic acid Traditional Name: 4-(3-iodopropanoylamino)-2-methyl-benzoic acid Formula: C11H12INO3 MolecularWeight: 333.12235

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCI)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCI)C(=O)O

InChI

InChI=1S/C11H12INO3/c1-7-6-8(13-10(14)4-5-12)2-3-9(7)11(15)16/h2-3,6H,4-5H2,1H3,(H,13,14)(H,15,16)