diethyl 3-(4-chlorophenyl)-3-cyano-pentanedioate

Systemtic Name: diethyl 3-(4-chlorophenyl)-3-cyano-pentanedioate Openeye Name: diethyl 3-(4-chlorophenyl)-3-cyano-pentanedioate CAS Name: 3-(4-chlorophenyl)-3-cyanopentanedioic acid diethyl ester IUPAC Name: diethyl 3-(4-chlorophenyl)-3-cyanopentanedioate Traditional Name: 3-(4-chlorophenyl)-3-cyano-glutaric acid diethyl ester Formula: C16H18ClNO4 MolecularWeight: 323.77142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClNO4/c1-3-21-14(19)9-16(11-18,10-15(20)22-4-2)12-5-7-13(17)8-6-12/h5-8H,3-4,9-10H2,1-2H3