methyl 2,2,4-tris(chloranyl)-4-cyano-butanoate

Systemtic Name: methyl 2,2,4-tris(chloranyl)-4-cyano-butanoate Openeye Name: methyl 2,2,4-trichloro-4-cyano-butanoate CAS Name: 2,2,4-trichloro-4-cyanobutanoic acid methyl ester IUPAC Name: methyl 2,2,4-trichloro-4-cyanobutanoate Traditional Name: 2,2,4-trichloro-4-cyano-butyric acid methyl ester Formula: C6H6Cl3NO2 MolecularWeight: 230.47634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(C#N)Cl)(Cl)Cl

Isomeric SMILES

COC(=O)C(CC(C#N)Cl)(Cl)Cl

InChI

InChI=1S/C6H6Cl3NO2/c1-12-5(11)6(8,9)2-4(7)3-10/h4H,2H2,1H3