2-(2-bromanyl-6-oxidanylidene-1-pent-2-ynyl-pyridin-4-yl)butanoic acid

Systemtic Name: 2-(2-bromanyl-6-oxidanylidene-1-pent-2-ynyl-pyridin-4-yl)butanoic acid Openeye Name: 2-(2-bromo-6-oxo-1-pent-2-ynyl-4-pyridyl)butanoic acid CAS Name: 2-(2-bromo-6-oxo-1-pent-2-ynyl-4-pyridinyl)butanoic acid IUPAC Name: 2-(2-bromo-6-oxo-1-pent-2-ynylpyridin-4-yl)butanoic acid Traditional Name: 2-(2-bromo-6-keto-1-pent-2-ynyl-4-pyridyl)butyric acid Formula: C14H16BrNO3 MolecularWeight: 326.18574

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCN1C(=CC(=CC1=O)C(CC)C(=O)O)Br

Isomeric SMILES

CCC#CCN1C(=CC(=CC1=O)C(CC)C(=O)O)Br

InChI

InChI=1S/C14H16BrNO3/c1-3-5-6-7-16-12(15)8-10(9-13(16)17)11(4-2)14(18)19/h8-9,11H,3-4,7H2,1-2H3,(H,18,19)