diethyl 2-[(4-chlorophenyl)methyl]-2-cyano-butanedioate

Systemtic Name: diethyl 2-[(4-chlorophenyl)methyl]-2-cyano-butanedioate Openeye Name: diethyl 2-[(4-chlorophenyl)methyl]-2-cyano-butanedioate CAS Name: 2-[(4-chlorophenyl)methyl]-2-cyanobutanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-chlorophenyl)methyl]-2-cyanobutanedioate Traditional Name: 2-(4-chlorobenzyl)-2-cyano-succinic acid diethyl ester Formula: C16H18ClNO4 MolecularWeight: 323.77142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC1=CC=C(C=C1)Cl)(C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC(CC1=CC=C(C=C1)Cl)(C#N)C(=O)OCC

InChI

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