5-[methyl-[2,4,6-tris(iodanyl)-3-methoxy-phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[methyl-[2,4,6-tris(iodanyl)-3-methoxy-phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-oxo-5-(2,4,6-triiodo-3-methoxy-N-methyl-anilino)pentanoic acid CAS Name: 5-oxo-5-(2,4,6-triiodo-3-methoxy-N-methylanilino)pentanoic acid IUPAC Name: 5-oxo-5-(2,4,6-triiodo-3-methoxy-N-methylanilino)pentanoic acid Traditional Name: 5-keto-5-(2,4,6-triiodo-3-methoxy-N-methyl-anilino)valeric acid Formula: C13H14I3NO4 MolecularWeight: 628.96797

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C(=C(C=C1I)I)OC)I)C(=O)CCCC(=O)O

Isomeric SMILES

CN(C1=C(C(=C(C=C1I)I)OC)I)C(=O)CCCC(=O)O

InChI

InChI=1S/C13H14I3NO4/c1-17(9(18)4-3-5-10(19)20)12-7(14)6-8(15)13(21-2)11(12)16/h6H,3-5H2,1-2H3,(H,19,20)