diethyl (2S,3S)-2,3-dicyano-2-[(1S)-2-oxidanylidenecyclohexyl]butanedioate

Systemtic Name: diethyl (2S,3S)-2,3-dicyano-2-[(1S)-2-oxidanylidenecyclohexyl]butanedioate Openeye Name: diethyl (2S,3S)-2,3-dicyano-2-[(1S)-2-oxocyclohexyl]butanedioate CAS Name: (2S,3S)-2,3-dicyano-2-[(1S)-2-oxocyclohexyl]butanedioic acid diethyl ester IUPAC Name: diethyl (2S,3S)-2,3-dicyano-2-[(1S)-2-oxocyclohexyl]butanedioate Traditional Name: (2S,3S)-2,3-dicyano-2-[(1S)-2-ketocyclohexyl]succinic acid diethyl ester Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(C#N)(C1CCCCC1=O)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@H](C#N)[C@](C#N)([C@@H]1CCCCC1=O)C(=O)OCC

InChI

InChI=1S/C16H20N2O5/c1-3-22-14(20)12(9-17)16(10-18,15(21)23-4-2)11-7-5-6-8-13(11)19/h11-12H,3-8H2,1-2H3/t11-,12+,16+/m1/s1