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

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-ketobicyclo[3.3.1]nonane-3-carboxylic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4/c20-10-12-3-1-6-16(7-12)21-17(22)11-25-19(24)15-8-13-4-2-5-14(9-15)18(13)23/h1,3,6-7,13-15H,2,4-5,8-9,11H2,(H,21,22)