(4-tert-butylphenyl) 5-bromanylpyridine-3-carboxylate

Systemtic Name: (4-tert-butylphenyl) 5-bromanylpyridine-3-carboxylate Openeye Name: (4-tert-butylphenyl) 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (4-tert-butylphenyl) ester Formula: C16H16BrNO2 MolecularWeight: 334.20774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C16H16BrNO2/c1-16(2,3)12-4-6-14(7-5-12)20-15(19)11-8-13(17)10-18-9-11/h4-10H,1-3H3