ethyl 3-(4-chlorophenyl)-2-cyano-butanoate

Systemtic Name: ethyl 3-(4-chlorophenyl)-2-cyano-butanoate Openeye Name: ethyl 3-(4-chlorophenyl)-2-cyano-butanoate CAS Name: 3-(4-chlorophenyl)-2-cyanobutanoic acid ethyl ester IUPAC Name: ethyl 3-(4-chlorophenyl)-2-cyanobutanoate Traditional Name: 3-(4-chlorophenyl)-2-cyano-butyric acid ethyl ester Formula: C13H14ClNO2 MolecularWeight: 251.70876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClNO2/c1-3-17-13(16)12(8-15)9(2)10-4-6-11(14)7-5-10/h4-7,9,12H,3H2,1-2H3