methyl 3-(2-chloranyl-4-cyano-phenoxy)butanoate

Systemtic Name: methyl 3-(2-chloranyl-4-cyano-phenoxy)butanoate Openeye Name: methyl 3-(2-chloro-4-cyano-phenoxy)butanoate CAS Name: 3-(2-chloro-4-cyanophenoxy)butanoic acid methyl ester IUPAC Name: methyl 3-(2-chloro-4-cyanophenoxy)butanoate Traditional Name: 3-(2-chloro-4-cyano-phenoxy)butyric acid methyl ester Formula: C12H12ClNO3 MolecularWeight: 253.68158

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)OC1=C(C=C(C=C1)C#N)Cl

Isomeric SMILES

CC(CC(=O)OC)OC1=C(C=C(C=C1)C#N)Cl

InChI

InChI=1S/C12H12ClNO3/c1-8(5-12(15)16-2)17-11-4-3-9(7-14)6-10(11)13/h3-4,6,8H,5H2,1-2H3