[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C16H15BrN2O3 MolecularWeight: 363.2059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN2O3/c1-10-3-11(2)5-14(4-10)19-15(20)9-22-16(21)12-6-13(17)8-18-7-12/h3-8H,9H2,1-2H3,(H,19,20)