[1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 5-bromanylpyridine-3-carboxylate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C16H14BrNO3 MolecularWeight: 348.19126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrNO3/c1-10-3-5-12(6-4-10)15(19)11(2)21-16(20)13-7-14(17)9-18-8-13/h3-9,11H,1-2H3