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

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C17H17BrN2O3 MolecularWeight: 377.23248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C17H17BrN2O3/c1-11(2)14-5-3-4-6-15(14)20-16(21)10-23-17(22)12-7-13(18)9-19-8-12/h3-9,11H,10H2,1-2H3,(H,20,21)