(3-cyanophenyl)methyl 5-bromanylpyridine-3-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 5-bromanylpyridine-3-carboxylate Openeye Name: (3-cyanophenyl)methyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (3-cyanobenzyl) ester Formula: C14H9BrN2O2 MolecularWeight: 317.13746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9BrN2O2/c15-13-5-12(7-17-8-13)14(18)19-9-11-3-1-2-10(4-11)6-16/h1-5,7-8H,9H2