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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11I3N2O3/c1-16(7(17)2-3-8(18)19)11-6(13)4-5(12)10(15)9(11)14/h4H,2-3,15H2,1H3,(H,18,19)