methyl 3-[bis(bromanyl)methyl]-5-(3-cyanophenyl)benzoate

Systemtic Name: methyl 3-[bis(bromanyl)methyl]-5-(3-cyanophenyl)benzoate Openeye Name: methyl 3-(3-cyanophenyl)-5-(dibromomethyl)benzoate CAS Name: 3-(3-cyanophenyl)-5-(dibromomethyl)benzoic acid methyl ester IUPAC Name: methyl 3-(3-cyanophenyl)-5-(dibromomethyl)benzoate Traditional Name: 3-(3-cyanophenyl)-5-(dibromomethyl)benzoic acid methyl ester Formula: C16H11Br2NO2 MolecularWeight: 409.07204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC=CC(=C2)C#N)C(Br)Br

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC=CC(=C2)C#N)C(Br)Br

InChI

InChI=1S/C16H11Br2NO2/c1-21-16(20)14-7-12(6-13(8-14)15(17)18)11-4-2-3-10(5-11)9-19/h2-8,15H,1H3