[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-ketobicyclo[3.3.1]nonane-3-carboxylic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C18H20INO4 MolecularWeight: 441.26017

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC(C1)C2=O)C(=O)OCC(=O)NC3=CC(=CC=C3)I

Isomeric SMILES

C1CC2CC(CC(C1)C2=O)C(=O)OCC(=O)NC3=CC(=CC=C3)I

InChI

InChI=1S/C18H20INO4/c19-14-5-2-6-15(9-14)20-16(21)10-24-18(23)13-7-11-3-1-4-12(8-13)17(11)22/h2,5-6,9,11-13H,1,3-4,7-8,10H2,(H,20,21)