(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 5-bromanylpyridine-3-carboxylate

Systemtic Name: (1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 5-bromanylpyridine-3-carboxylate Openeye Name: (1-methyl-2-morpholino-2-oxo-ethyl) 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [1-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: (1-morpholin-4-yl-1-oxopropan-2-yl) 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (2-keto-1-methyl-2-morpholino-ethyl) ester Formula: C13H15BrN2O4 MolecularWeight: 343.1732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)OC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CC(C(=O)N1CCOCC1)OC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C13H15BrN2O4/c1-9(12(17)16-2-4-19-5-3-16)20-13(18)10-6-11(14)8-15-7-10/h6-9H,2-5H2,1H3