[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C16H15BrN2O3/c1-11-4-2-3-5-12(11)8-19-15(20)10-22-16(21)13-6-14(17)9-18-7-13/h2-7,9H,8,10H2,1H3,(H,19,20)