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

Systemtic Name: 4-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]-methyl-amino]-2-ethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-amino-2,4,6-triiodo-N-methyl-anilino)-2-ethyl-4-oxo-butanoic acid CAS Name: 4-(3-amino-2,4,6-triiodo-N-methylanilino)-2-ethyl-4-oxobutanoic acid IUPAC Name: 4-(3-amino-2,4,6-triiodo-N-methylanilino)-2-ethyl-4-oxobutanoic acid Traditional Name: 4-(3-amino-2,4,6-triiodo-N-methyl-anilino)-2-ethyl-4-keto-butyric acid Formula: C13H15I3N2O3 MolecularWeight: 627.98321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15I3N2O3/c1-3-6(13(20)21)4-9(19)18(2)12-8(15)5-7(14)11(17)10(12)16/h5-6H,3-4,17H2,1-2H3,(H,20,21)