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

Systemtic Name: [2-oxidanylidene-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-keto-2-(2,3,4,5-tetramethylphenyl)ethyl] ester Formula: C18H18BrNO3 MolecularWeight: 376.24442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO3/c1-10-5-16(13(4)12(3)11(10)2)17(21)9-23-18(22)14-6-15(19)8-20-7-14/h5-8H,9H2,1-4H3