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

Systemtic Name: [1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-bromanylpyridine-3-carboxylate Openeye Name: [1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylanilino)-1-oxopropan-2-yl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C16H15BrN2O3 MolecularWeight: 363.2059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN2O3/c1-10-3-5-14(6-4-10)19-15(20)11(2)22-16(21)12-7-13(17)9-18-8-12/h3-9,11H,1-2H3,(H,19,20)