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

Systemtic Name: 3-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]carbonyl-phenyl-amino]propanoic acid Openeye Name: 3-(N-(3-amino-2,4,6-triiodo-benzoyl)anilino)propanoic acid CAS Name: 3-(N-[(3-amino-2,4,6-triiodophenyl)-oxomethyl]anilino)propanoic acid IUPAC Name: 3-(N-(3-amino-2,4,6-triiodobenzoyl)anilino)propanoic acid Traditional Name: 3-(N-(3-amino-2,4,6-triiodo-benzoyl)anilino)propionic acid Formula: C16H13I3N2O3 MolecularWeight: 661.99943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC(=O)O)C(=O)C2=C(C(=C(C=C2I)I)N)I

Isomeric SMILES

C1=CC=C(C=C1)N(CCC(=O)O)C(=O)C2=C(C(=C(C=C2I)I)N)I

InChI

InChI=1S/C16H13I3N2O3/c17-10-8-11(18)15(20)14(19)13(10)16(24)21(7-6-12(22)23)9-4-2-1-3-5-9/h1-5,8H,6-7,20H2,(H,22,23)