[4-(2-cyanophenyl)phenyl]methyl 5-bromanylpyridine-3-carboxylate

Systemtic Name: [4-(2-cyanophenyl)phenyl]methyl 5-bromanylpyridine-3-carboxylate Openeye Name: [4-(2-cyanophenyl)phenyl]methyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [4-(2-cyanophenyl)phenyl]methyl ester IUPAC Name: [4-(2-cyanophenyl)phenyl]methyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [4-(2-cyanophenyl)benzyl] ester Formula: C20H13BrN2O2 MolecularWeight: 393.23342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)COC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)COC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C20H13BrN2O2/c21-18-9-17(11-23-12-18)20(24)25-13-14-5-7-15(8-6-14)19-4-2-1-3-16(19)10-22/h1-9,11-12H,13H2