1-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl]-2-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl]-2-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-pyridine-3-carboxylic acid CAS Name: 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxopyridine-3-carboxylic acid Traditional Name: 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-keto-nicotinic acid Formula: C14H9F2NO5 MolecularWeight: 309.221766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)C(=C1)C(=O)O)CC2=CC3=C(C=C2)OC(O3)(F)F

Isomeric SMILES

C1=CN(C(=O)C(=C1)C(=O)O)CC2=CC3=C(C=C2)OC(O3)(F)F

InChI

InChI=1S/C14H9F2NO5/c15-14(16)21-10-4-3-8(6-11(10)22-14)7-17-5-1-2-9(12(17)18)13(19)20/h1-6H,7H2,(H,19,20)