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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C(=O)N(C)C1=C(C=C(C(=C1I)N)I)I

Isomeric SMILES

CC(CC(=O)O)C(=O)N(C)C1=C(C=C(C(=C1I)N)I)I

InChI

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