(2-bromanyl-4,5-dimethoxy-phenyl)methyl 4-cyanobenzoate

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl 4-cyanobenzoate Openeye Name: (2-bromo-4,5-dimethoxy-phenyl)methyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid (2-bromo-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (2-bromo-4,5-dimethoxy-benzyl) ester Formula: C17H14BrNO4 MolecularWeight: 376.20136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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