ethyl 2-[[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: ethyl 2-[[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: ethyl 2-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)amino]-3-hydroxy-propanoate CAS Name: 2-[[(3,5-diacetamido-2,4,6-triiodophenyl)-oxomethyl]amino]-3-hydroxypropanoic acid ethyl ester IUPAC Name: ethyl 2-[(3,5-diacetamido-2,4,6-triiodobenzoyl)amino]-3-hydroxypropanoate Traditional Name: 2-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)amino]-3-hydroxy-propionic acid ethyl ester Formula: C16H18I3N3O6 MolecularWeight: 729.04403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CO)NC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I

Isomeric SMILES

CCOC(=O)C(CO)NC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I

InChI

InChI=1S/C16H18I3N3O6/c1-4-28-16(27)8(5-23)22-15(26)9-10(17)13(20-6(2)24)12(19)14(11(9)18)21-7(3)25/h8,23H,4-5H2,1-3H3,(H,20,24)(H,21,25)(H,22,26)