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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C(=C(C=C1I)I)OC)I)C(=O)CCC(=O)O

Isomeric SMILES

CCN(C1=C(C(=C(C=C1I)I)OC)I)C(=O)CCC(=O)O

InChI

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