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

Systemtic Name: 2-azanyl-4-oxidanylidene-2-[2,4,6-tris(iodanyl)-3-(methylamino)phenyl]butanoic acid Openeye Name: 2-amino-4-oxo-2-[2,4,6-triiodo-3-(methylamino)phenyl]butanoic acid CAS Name: 2-amino-4-oxo-2-[2,4,6-triiodo-3-(methylamino)phenyl]butanoic acid IUPAC Name: 2-amino-4-oxo-2-[2,4,6-triiodo-3-(methylamino)phenyl]butanoic acid Traditional Name: 2-amino-4-keto-2-[2,4,6-triiodo-3-(methylamino)phenyl]butyric acid Formula: C11H11I3N2O3 MolecularWeight: 599.93005

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C(=C1I)C(CC=O)(C(=O)O)N)I)I

Isomeric SMILES

CNC1=C(C=C(C(=C1I)C(CC=O)(C(=O)O)N)I)I

InChI

InChI=1S/C11H11I3N2O3/c1-16-9-6(13)4-5(12)7(8(9)14)11(15,2-3-17)10(18)19/h3-4,16H,2,15H2,1H3,(H,18,19)