methyl 5-bromanyl-6-oxidanylidene-1-(pyridin-3-ylmethyl)pyridine-3-carboxylate

Systemtic Name: methyl 5-bromanyl-6-oxidanylidene-1-(pyridin-3-ylmethyl)pyridine-3-carboxylate Openeye Name: methyl 5-bromo-6-oxo-1-(3-pyridylmethyl)pyridine-3-carboxylate CAS Name: 5-bromo-6-oxo-1-(3-pyridinylmethyl)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-bromo-6-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxylate Traditional Name: 5-bromo-6-keto-1-(3-pyridylmethyl)nicotinic acid methyl ester Formula: C13H11BrN2O3 MolecularWeight: 323.14204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C(=C1)Br)CC2=CN=CC=C2

Isomeric SMILES

COC(=O)C1=CN(C(=O)C(=C1)Br)CC2=CN=CC=C2

InChI

InChI=1S/C13H11BrN2O3/c1-19-13(18)10-5-11(14)12(17)16(8-10)7-9-3-2-4-15-6-9/h2-6,8H,7H2,1H3