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

Systemtic Name: 5-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]-ethyl-amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(3-amino-N-ethyl-2,4,6-triiodo-anilino)-5-oxo-pentanoic acid CAS Name: 5-(3-amino-N-ethyl-2,4,6-triiodoanilino)-5-oxopentanoic acid IUPAC Name: 5-(3-amino-N-ethyl-2,4,6-triiodoanilino)-5-oxopentanoic acid Traditional Name: 5-(3-amino-N-ethyl-2,4,6-triiodo-anilino)-5-keto-valeric acid Formula: C13H15I3N2O3 MolecularWeight: 627.98321

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=C(C(=C1I)N)I)I)C(=O)CCCC(=O)O

Isomeric SMILES

CCN(C1=C(C=C(C(=C1I)N)I)I)C(=O)CCCC(=O)O

InChI

InChI=1S/C13H15I3N2O3/c1-2-18(9(19)4-3-5-10(20)21)13-8(15)6-7(14)12(17)11(13)16/h6H,2-5,17H2,1H3,(H,20,21)