diethyl (2S,4S)-3-(5-chloranyl-2-oxidanyl-phenyl)-2,4-dicyano-pentanedioate

Systemtic Name: diethyl (2S,4S)-3-(5-chloranyl-2-oxidanyl-phenyl)-2,4-dicyano-pentanedioate Openeye Name: diethyl (2S,4S)-3-(5-chloro-2-hydroxy-phenyl)-2,4-dicyano-pentanedioate CAS Name: (2S,4S)-3-(5-chloro-2-hydroxyphenyl)-2,4-dicyanopentanedioic acid diethyl ester IUPAC Name: diethyl (2S,4S)-3-(5-chloro-2-hydroxyphenyl)-2,4-dicyanopentanedioate Traditional Name: (2S,4S)-3-(5-chloro-2-hydroxy-phenyl)-2,4-dicyano-glutaric acid diethyl ester Formula: C17H17ClN2O5 MolecularWeight: 364.78028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(C1=C(C=CC(=C1)Cl)O)C(C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@H](C#N)C(C1=C(C=CC(=C1)Cl)O)[C@@H](C#N)C(=O)OCC

InChI

InChI=1S/C17H17ClN2O5/c1-3-24-16(22)12(8-19)15(13(9-20)17(23)25-4-2)11-7-10(18)5-6-14(11)21/h5-7,12-13,15,21H,3-4H2,1-2H3/t12-,13-/m1/s1