3-(2-chloranylethanoylamino)-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)benzoic acid

Systemtic Name: 3-(2-chloranylethanoylamino)-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)benzoic acid Openeye Name: 3-[(2-chloroacetyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid CAS Name: 3-[(2-chloro-1-oxoethyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid IUPAC Name: 3-[(2-chloroacetyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid Traditional Name: 3-[(2-chloroacetyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid Formula: C11H8ClI3N2O4 MolecularWeight: 648.35863

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CCl)I)C(=O)O)I

Isomeric SMILES

CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CCl)I)C(=O)O)I

InChI

InChI=1S/C11H8ClI3N2O4/c1-16-10(19)4-6(13)5(11(20)21)8(15)9(7(4)14)17-3(18)2-12/h2H2,1H3,(H,16,19)(H,17,18)(H,20,21)