4-[[3-ethoxy-2,4,6-tris(iodanyl)phenyl]-methyl-amino]-4-oxidanylidene-butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1I)N(C)C(=O)CCC(=O)O)I)I

Isomeric SMILES

CCOC1=C(C=C(C(=C1I)N(C)C(=O)CCC(=O)O)I)I

InChI

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