(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (1S,5R)-9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (1S,5R)-9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: (1S,5R)-9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: (1S,5R)-9-ketobicyclo[3.3.1]nonane-3-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1CC2CCCC(C1)C2=O

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O

InChI

InChI=1S/C16H20N2O4/c1-9(18)13(7-17)14(19)8-22-16(21)12-5-10-3-2-4-11(6-12)15(10)20/h10-13,18H,2-6,8H2,1H3/t10-,11+,12?,13?