(3-bromanyl-4-methoxy-phenyl)methyl 3-cyanobenzoate

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)methyl 3-cyanobenzoate Openeye Name: (3-bromo-4-methoxy-phenyl)methyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid (3-bromo-4-methoxyphenyl)methyl ester IUPAC Name: (3-bromo-4-methoxyphenyl)methyl 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (3-bromo-4-methoxy-benzyl) ester Formula: C16H12BrNO3 MolecularWeight: 346.17538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrNO3/c1-20-15-6-5-12(8-14(15)17)10-21-16(19)13-4-2-3-11(7-13)9-18/h2-8H,10H2,1H3