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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC(=CN=C2)Br

InChI

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