(4-cyanophenyl) 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate

Systemtic Name: (4-cyanophenyl) 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate Openeye Name: (4-cyanophenyl) 2-(2-bromo-4,5-dimethoxy-phenyl)acetate CAS Name: 2-(2-bromo-4,5-dimethoxyphenyl)acetic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2-(2-bromo-4,5-dimethoxyphenyl)acetate Traditional Name: 2-(2-bromo-4,5-dimethoxy-phenyl)acetic acid (4-cyanophenyl) ester Formula: C17H14BrNO4 MolecularWeight: 376.20136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)OC2=CC=C(C=C2)C#N)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)OC2=CC=C(C=C2)C#N)Br)OC

InChI

InChI=1S/C17H14BrNO4/c1-21-15-7-12(14(18)9-16(15)22-2)8-17(20)23-13-5-3-11(10-19)4-6-13/h3-7,9H,8H2,1-2H3