[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (2-keto-2-mesityl-ethyl) ester Formula: C17H16BrNO3 MolecularWeight: 362.21784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)C2=CC(=CN=C2)Br)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)C2=CC(=CN=C2)Br)C

InChI

InChI=1S/C17H16BrNO3/c1-10-4-11(2)16(12(3)5-10)15(20)9-22-17(21)13-6-14(18)8-19-7-13/h4-8H,9H2,1-3H3