ethyl 3-[2,6-bis(chloranyl)phenyl]-3-cyano-butanoate

Systemtic Name: ethyl 3-[2,6-bis(chloranyl)phenyl]-3-cyano-butanoate Openeye Name: ethyl 3-cyano-3-(2,6-dichlorophenyl)butanoate CAS Name: 3-cyano-3-(2,6-dichlorophenyl)butanoic acid ethyl ester IUPAC Name: ethyl 3-cyano-3-(2,6-dichlorophenyl)butanoate Traditional Name: 3-cyano-3-(2,6-dichlorophenyl)butyric acid ethyl ester Formula: C13H13Cl2NO2 MolecularWeight: 286.15382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)(C#N)C1=C(C=CC=C1Cl)Cl

Isomeric SMILES

CCOC(=O)CC(C)(C#N)C1=C(C=CC=C1Cl)Cl

InChI

InChI=1S/C13H13Cl2NO2/c1-3-18-11(17)7-13(2,8-16)12-9(14)5-4-6-10(12)15/h4-6H,3,7H2,1-2H3