[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(4-isopropylphenyl)-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-oxo-2-(4-propan-2-ylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (2-keto-2-p-cumenyl-ethyl) ester Formula: C17H16BrNO3 MolecularWeight: 362.21784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrNO3/c1-11(2)12-3-5-13(6-4-12)16(20)10-22-17(21)14-7-15(18)9-19-8-14/h3-9,11H,10H2,1-2H3