5-(2-chloranylethanoylamino)-2,4,6-tris(iodanyl)-N3-propyl-benzene-1,3-dicarboxamide

Systemtic Name: 5-(2-chloranylethanoylamino)-2,4,6-tris(iodanyl)-N3-propyl-benzene-1,3-dicarboxamide Openeye Name: 5-[(2-chloroacetyl)amino]-2,4,6-triiodo-N3-propyl-benzene-1,3-dicarboxamide CAS Name: 5-[(2-chloro-1-oxoethyl)amino]-2,4,6-triiodo-N3-propylbenzene-1,3-dicarboxamide IUPAC Name: 5-[(2-chloroacetyl)amino]-2,4,6-triiodo-3-N-propylbenzene-1,3-dicarboxamide Traditional Name: 5-[(2-chloroacetyl)amino]-2,4,6-triiodo-N'-propyl-isophthalamide Formula: C13H13ClI3N3O3 MolecularWeight: 675.42703

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C(C(=C(C(=C1I)C(=O)N)I)NC(=O)CCl)I

Isomeric SMILES

CCCNC(=O)C1=C(C(=C(C(=C1I)C(=O)N)I)NC(=O)CCl)I

InChI

InChI=1S/C13H13ClI3N3O3/c1-2-3-19-13(23)7-8(15)6(12(18)22)9(16)11(10(7)17)20-5(21)4-14/h2-4H2,1H3,(H2,18,22)(H,19,23)(H,20,21)