[4-(4-cyanophenyl)phenyl] 2-(4-bromanylphenoxy)ethanoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 2-(4-bromanylphenoxy)ethanoate Openeye Name: [4-(4-cyanophenyl)phenyl] 2-(4-bromophenoxy)acetate CAS Name: 2-(4-bromophenoxy)acetic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 2-(4-bromophenoxy)acetate Traditional Name: 2-(4-bromophenoxy)acetic acid [4-(4-cyanophenyl)phenyl] ester Formula: C21H14BrNO3 MolecularWeight: 408.24476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OC(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OC(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H14BrNO3/c22-18-7-11-19(12-8-18)25-14-21(24)26-20-9-5-17(6-10-20)16-3-1-15(13-23)2-4-16/h1-12H,14H2