methyl 3-(bromomethyl)-5-(3-cyanophenyl)benzoate

Systemtic Name: methyl 3-(bromomethyl)-5-(3-cyanophenyl)benzoate Openeye Name: methyl 3-(bromomethyl)-5-(3-cyanophenyl)benzoate CAS Name: 3-(bromomethyl)-5-(3-cyanophenyl)benzoic acid methyl ester IUPAC Name: methyl 3-(bromomethyl)-5-(3-cyanophenyl)benzoate Traditional Name: 3-(bromomethyl)-5-(3-cyanophenyl)benzoic acid methyl ester Formula: C16H12BrNO2 MolecularWeight: 330.17598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrNO2/c1-20-16(19)15-7-12(9-17)6-14(8-15)13-4-2-3-11(5-13)10-18/h2-8H,9H2,1H3