methyl 3-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]carbonyl-phenyl-amino]propanoate

Systemtic Name: methyl 3-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]carbonyl-phenyl-amino]propanoate Openeye Name: methyl 3-(N-(3-amino-2,4,6-triiodo-benzoyl)anilino)propanoate CAS Name: 3-(N-[(3-amino-2,4,6-triiodophenyl)-oxomethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 3-(N-(3-amino-2,4,6-triiodobenzoyl)anilino)propanoate Traditional Name: 3-(N-(3-amino-2,4,6-triiodo-benzoyl)anilino)propionic acid methyl ester Formula: C17H15I3N2O3 MolecularWeight: 676.02601

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN(C1=CC=CC=C1)C(=O)C2=C(C(=C(C=C2I)I)N)I

Isomeric SMILES

COC(=O)CCN(C1=CC=CC=C1)C(=O)C2=C(C(=C(C=C2I)I)N)I

InChI

InChI=1S/C17H15I3N2O3/c1-25-13(23)7-8-22(10-5-3-2-4-6-10)17(24)14-11(18)9-12(19)16(21)15(14)20/h2-6,9H,7-8,21H2,1H3