ethyl 2-[2-(2-bromoethyl)-3,4,5-trimethoxy-phenyl]-2-cyano-ethanoate

Systemtic Name: ethyl 2-[2-(2-bromoethyl)-3,4,5-trimethoxy-phenyl]-2-cyano-ethanoate Openeye Name: ethyl 2-[2-(2-bromoethyl)-3,4,5-trimethoxy-phenyl]-2-cyano-acetate CAS Name: 2-[2-(2-bromoethyl)-3,4,5-trimethoxyphenyl]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-bromoethyl)-3,4,5-trimethoxyphenyl]-2-cyanoacetate Traditional Name: 2-[2-(2-bromoethyl)-3,4,5-trimethoxy-phenyl]-2-cyano-acetic acid ethyl ester Formula: C16H20BrNO5 MolecularWeight: 386.2377

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=CC(=C(C(=C1CCBr)OC)OC)OC

Isomeric SMILES

CCOC(=O)C(C#N)C1=CC(=C(C(=C1CCBr)OC)OC)OC

InChI

InChI=1S/C16H20BrNO5/c1-5-23-16(19)12(9-18)11-8-13(20-2)15(22-4)14(21-3)10(11)6-7-17/h8,12H,5-7H2,1-4H3