diethyl 2-[(2-chloranyl-4-cyano-phenyl)methyl]propanedioate

Systemtic Name: diethyl 2-[(2-chloranyl-4-cyano-phenyl)methyl]propanedioate Openeye Name: diethyl 2-[(2-chloro-4-cyano-phenyl)methyl]propanedioate CAS Name: 2-[(2-chloro-4-cyanophenyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(2-chloro-4-cyanophenyl)methyl]propanedioate Traditional Name: 2-(2-chloro-4-cyano-benzyl)malonic acid diethyl ester Formula: C15H16ClNO4 MolecularWeight: 309.74484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClNO4/c1-3-20-14(18)12(15(19)21-4-2)8-11-6-5-10(9-17)7-13(11)16/h5-7,12H,3-4,8H2,1-2H3