methyl 2-(3-bromanyl-4-cyano-phenyl)-2-(3,4,5-trimethoxyphenyl)ethanoate

Systemtic Name: methyl 2-(3-bromanyl-4-cyano-phenyl)-2-(3,4,5-trimethoxyphenyl)ethanoate Openeye Name: methyl 2-(3-bromo-4-cyano-phenyl)-2-(3,4,5-trimethoxyphenyl)acetate CAS Name: 2-(3-bromo-4-cyanophenyl)-2-(3,4,5-trimethoxyphenyl)acetic acid methyl ester IUPAC Name: methyl 2-(3-bromo-4-cyanophenyl)-2-(3,4,5-trimethoxyphenyl)acetate Traditional Name: 2-(3-bromo-4-cyano-phenyl)-2-(3,4,5-trimethoxyphenyl)acetic acid methyl ester Formula: C19H18BrNO5 MolecularWeight: 420.25392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CC(=C(C=C2)C#N)Br)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC(=C(C=C2)C#N)Br)C(=O)OC

InChI

InChI=1S/C19H18BrNO5/c1-23-15-8-13(9-16(24-2)18(15)25-3)17(19(22)26-4)11-5-6-12(10-21)14(20)7-11/h5-9,17H,1-4H3