[2-oxidanylidene-2-[[2,4,6-tris(iodanyl)phenyl]amino]ethyl] adamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2,4,6-tris(iodanyl)phenyl]amino]ethyl] adamantane-1-carboxylate Openeye Name: [2-oxo-2-(2,4,6-triiodoanilino)ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-oxo-2-(2,4,6-triiodoanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-triiodoanilino)ethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-keto-2-(2,4,6-triiodoanilino)ethyl] ester Formula: C19H20I3NO3 MolecularWeight: 691.08041

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NC4=C(C=C(C=C4I)I)I

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NC4=C(C=C(C=C4I)I)I

InChI

InChI=1S/C19H20I3NO3/c20-13-4-14(21)17(15(22)5-13)23-16(24)9-26-18(25)19-6-10-1-11(7-19)3-12(2-10)8-19/h4-5,10-12H,1-3,6-9H2,(H,23,24)