[(Z)-2,4-diethoxy-4-oxidanylidene-but-2-enyl] 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate

Systemtic Name: [(Z)-2,4-diethoxy-4-oxidanylidene-but-2-enyl] 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: [(Z)-2,4-diethoxy-4-oxo-but-2-enyl] 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid [(Z)-2,4-diethoxy-4-oxobut-2-enyl] ester IUPAC Name: [(Z)-2,4-diethoxy-4-oxobut-2-enyl] 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid [(Z)-2,4-diethoxy-4-keto-but-2-enyl] ester Formula: C19H21I3N2O7 MolecularWeight: 770.09265

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=CC(=O)OCC)COC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I

Isomeric SMILES

CCO/C(=C\C(=O)OCC)/COC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I

InChI

InChI=1S/C19H21I3N2O7/c1-5-29-11(7-12(27)30-6-2)8-31-19(28)13-14(20)17(23-9(3)25)16(22)18(15(13)21)24-10(4)26/h7H,5-6,8H2,1-4H3,(H,23,25)(H,24,26)/b11-7-