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

Systemtic Name: (3-cyanophenyl)methyl 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate Openeye Name: (3-cyanophenyl)methyl 2-(2-bromo-4,5-dimethoxy-phenyl)acetate CAS Name: 2-(2-bromo-4,5-dimethoxyphenyl)acetic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate Traditional Name: 2-(2-bromo-4,5-dimethoxy-phenyl)acetic acid (3-cyanobenzyl) ester Formula: C18H16BrNO4 MolecularWeight: 390.22794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)OCC2=CC=CC(=C2)C#N)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)OCC2=CC=CC(=C2)C#N)Br)OC

InChI

InChI=1S/C18H16BrNO4/c1-22-16-7-14(15(19)9-17(16)23-2)8-18(21)24-11-13-5-3-4-12(6-13)10-20/h3-7,9H,8,11H2,1-2H3