methyl 2-(2-bromanyl-6-oxidanylidene-1-prop-2-ynyl-pyridin-4-yl)butanoate

Systemtic Name: methyl 2-(2-bromanyl-6-oxidanylidene-1-prop-2-ynyl-pyridin-4-yl)butanoate Openeye Name: methyl 2-(2-bromo-6-oxo-1-prop-2-ynyl-4-pyridyl)butanoate CAS Name: 2-(2-bromo-6-oxo-1-prop-2-ynyl-4-pyridinyl)butanoic acid methyl ester IUPAC Name: methyl 2-(2-bromo-6-oxo-1-prop-2-ynylpyridin-4-yl)butanoate Traditional Name: 2-(2-bromo-6-keto-1-propargyl-4-pyridyl)butyric acid methyl ester Formula: C13H14BrNO3 MolecularWeight: 312.15916

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=O)N(C(=C1)Br)CC#C)C(=O)OC

Isomeric SMILES

CCC(C1=CC(=O)N(C(=C1)Br)CC#C)C(=O)OC

InChI

InChI=1S/C13H14BrNO3/c1-4-6-15-11(14)7-9(8-12(15)16)10(5-2)13(17)18-3/h1,7-8,10H,5-6H2,2-3H3