methyl 2,6-bis(bromanyl)-4-cyano-benzoate

Systemtic Name: methyl 2,6-bis(bromanyl)-4-cyano-benzoate Openeye Name: methyl 2,6-dibromo-4-cyano-benzoate CAS Name: 2,6-dibromo-4-cyanobenzoic acid methyl ester IUPAC Name: methyl 2,6-dibromo-4-cyanobenzoate Traditional Name: 2,6-dibromo-4-cyano-benzoic acid methyl ester Formula: C9H5Br2NO2 MolecularWeight: 318.9495

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1Br)C#N)Br

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1Br)C#N)Br

InChI

InChI=1S/C9H5Br2NO2/c1-14-9(13)8-6(10)2-5(4-12)3-7(8)11/h2-3H,1H3