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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=C(C=C(C(=C1I)N)I)I)CC(=O)O

Isomeric SMILES

CC(CC(=O)NC1=C(C=C(C(=C1I)N)I)I)CC(=O)O

InChI

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