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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13I3N2O3/c13-7-4-8(14)12(16)11(15)6(7)5-17-9(18)2-1-3-10(19)20/h4H,1-3,5,16H2,(H,17,18)(H,19,20)