diethyl 2-[2-cyano-1-(4-fluorophenyl)ethyl]propanedioate

Systemtic Name: diethyl 2-[2-cyano-1-(4-fluorophenyl)ethyl]propanedioate Openeye Name: diethyl 2-[2-cyano-1-(4-fluorophenyl)ethyl]propanedioate CAS Name: 2-[2-cyano-1-(4-fluorophenyl)ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-cyano-1-(4-fluorophenyl)ethyl]propanedioate Traditional Name: 2-[2-cyano-1-(4-fluorophenyl)ethyl]malonic acid diethyl ester Formula: C16H18FNO4 MolecularWeight: 307.316823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18FNO4/c1-3-21-15(19)14(16(20)22-4-2)13(9-10-18)11-5-7-12(17)8-6-11/h5-8,13-14H,3-4,9H2,1-2H3