2-[[3,5-bis[ethanoyl(ethyl)amino]-2,4,6-tris(iodanyl)phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[3,5-bis[ethanoyl(ethyl)amino]-2,4,6-tris(iodanyl)phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[3,5-bis[acetyl(ethyl)amino]-2,4,6-triiodo-benzoyl]amino]acetic acid CAS Name: 2-[[[3,5-bis[acetyl(ethyl)amino]-2,4,6-triiodophenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[3,5-bis[acetyl(ethyl)amino]-2,4,6-triiodobenzoyl]amino]acetic acid Traditional Name: 2-[[3,5-bis[acetyl(ethyl)amino]-2,4,6-triiodo-benzoyl]amino]acetic acid Formula: C17H20I3N3O5 MolecularWeight: 727.07121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20I3N3O5/c1-5-22(8(3)24)15-12(18)11(17(28)21-7-10(26)27)13(19)16(14(15)20)23(6-2)9(4)25/h5-7H2,1-4H3,(H,21,28)(H,26,27)