(1-cyano-1-phenyl-ethyl) 2-bromanylpropanoate

Systemtic Name: (1-cyano-1-phenyl-ethyl) 2-bromanylpropanoate Openeye Name: (1-cyano-1-phenyl-ethyl) 2-bromopropanoate CAS Name: 2-bromopropanoic acid (1-cyano-1-phenylethyl) ester IUPAC Name: (1-cyano-1-phenylethyl) 2-bromopropanoate Traditional Name: 2-bromopropionic acid (1-cyano-1-phenyl-ethyl) ester Formula: C12H12BrNO2 MolecularWeight: 282.13318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrNO2/c1-9(13)11(15)16-12(2,8-14)10-6-4-3-5-7-10/h3-7,9H,1-2H3