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

Systemtic Name: methyl 4-(2-chlorophenyl)-3-cyano-butanoate Openeye Name: methyl 4-(2-chlorophenyl)-3-cyano-butanoate CAS Name: 4-(2-chlorophenyl)-3-cyanobutanoic acid methyl ester IUPAC Name: methyl 4-(2-chlorophenyl)-3-cyanobutanoate Traditional Name: 4-(2-chlorophenyl)-3-cyano-butyric acid methyl ester Formula: C12H12ClNO2 MolecularWeight: 237.68218

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC1=CC=CC=C1Cl)C#N

Isomeric SMILES

COC(=O)CC(CC1=CC=CC=C1Cl)C#N

InChI

InChI=1S/C12H12ClNO2/c1-16-12(15)7-9(8-14)6-10-4-2-3-5-11(10)13/h2-5,9H,6-7H2,1H3