diethyl 5-(2-bromanyl-1-oxidanyl-ethyl)-6-oxidanylidene-1H-pyridine-2,3-dicarboxylate

Systemtic Name: diethyl 5-(2-bromanyl-1-oxidanyl-ethyl)-6-oxidanylidene-1H-pyridine-2,3-dicarboxylate Openeye Name: diethyl 5-(2-bromo-1-hydroxy-ethyl)-6-oxo-1H-pyridine-2,3-dicarboxylate CAS Name: 5-(2-bromo-1-hydroxyethyl)-6-oxo-1H-pyridine-2,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(2-bromo-1-hydroxyethyl)-6-oxo-1H-pyridine-2,3-dicarboxylate Traditional Name: 5-(2-bromo-1-hydroxy-ethyl)-6-keto-1H-pyridine-2,3-dicarboxylic acid diethyl ester Formula: C13H16BrNO6 MolecularWeight: 362.17324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)C(=C1)C(CBr)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)C(=C1)C(CBr)O)C(=O)OCC

InChI

InChI=1S/C13H16BrNO6/c1-3-20-12(18)8-5-7(9(16)6-14)11(17)15-10(8)13(19)21-4-2/h5,9,16H,3-4,6H2,1-2H3,(H,15,17)