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

Systemtic Name: methyl 2,2,4-tris(bromanyl)-4-cyano-butanoate Openeye Name: methyl 2,2,4-tribromo-4-cyano-butanoate CAS Name: 2,2,4-tribromo-4-cyanobutanoic acid methyl ester IUPAC Name: methyl 2,2,4-tribromo-4-cyanobutanoate Traditional Name: 2,2,4-tribromo-4-cyano-butyric acid methyl ester Formula: C6H6Br3NO2 MolecularWeight: 363.82934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H6Br3NO2/c1-12-5(11)6(8,9)2-4(7)3-10/h4H,2H2,1H3