(4-cyano-2-methoxy-phenyl) 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: (4-cyano-2-methoxy-phenyl) 9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-ketobicyclo[3.3.1]nonane-3-carboxylic acid (4-cyano-2-methoxy-phenyl) ester Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OC(=O)C2CC3CCCC(C2)C3=O

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OC(=O)C2CC3CCCC(C2)C3=O

InChI

InChI=1S/C18H19NO4/c1-22-16-7-11(10-19)5-6-15(16)23-18(21)14-8-12-3-2-4-13(9-14)17(12)20/h5-7,12-14H,2-4,8-9H2,1H3