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

Systemtic Name: 2-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]-methyl-amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-(3-amino-2,4,6-triiodo-N-methyl-anilino)-5-oxo-pentanoic acid CAS Name: 2-(3-amino-2,4,6-triiodo-N-methylanilino)-5-oxopentanoic acid IUPAC Name: 2-(3-amino-2,4,6-triiodo-N-methylanilino)-5-oxopentanoic acid Traditional Name: 2-(3-amino-2,4,6-triiodo-N-methyl-anilino)-5-keto-valeric acid Formula: C12H13I3N2O3 MolecularWeight: 613.95663

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=C(C(=C1I)N)I)I)C(CCC=O)C(=O)O

Isomeric SMILES

CN(C1=C(C=C(C(=C1I)N)I)I)C(CCC=O)C(=O)O

InChI

InChI=1S/C12H13I3N2O3/c1-17(8(12(19)20)3-2-4-18)11-7(14)5-6(13)10(16)9(11)15/h4-5,8H,2-3,16H2,1H3,(H,19,20)