methyl 3-(bromomethyl)-5-(2-cyanopropan-2-yl)benzoate

Systemtic Name: methyl 3-(bromomethyl)-5-(2-cyanopropan-2-yl)benzoate Openeye Name: methyl 3-(bromomethyl)-5-(1-cyano-1-methyl-ethyl)benzoate CAS Name: 3-(bromomethyl)-5-(2-cyanopropan-2-yl)benzoic acid methyl ester IUPAC Name: methyl 3-(bromomethyl)-5-(2-cyanopropan-2-yl)benzoate Traditional Name: 3-(bromomethyl)-5-(1-cyano-1-methyl-ethyl)benzoic acid methyl ester Formula: C13H14BrNO2 MolecularWeight: 296.15976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC(=CC(=C1)CBr)C(=O)OC

Isomeric SMILES

CC(C)(C#N)C1=CC(=CC(=C1)CBr)C(=O)OC

InChI

InChI=1S/C13H14BrNO2/c1-13(2,8-15)11-5-9(7-14)4-10(6-11)12(16)17-3/h4-6H,7H2,1-3H3