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

Systemtic Name: methyl 1-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl]-2-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-pyridine-3-carboxylate CAS Name: 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxopyridine-3-carboxylate Traditional Name: 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-keto-nicotinic acid methyl ester Formula: C15H11F2NO5 MolecularWeight: 323.248346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11F2NO5/c1-21-14(20)10-3-2-6-18(13(10)19)8-9-4-5-11-12(7-9)23-15(16,17)22-11/h2-7H,8H2,1H3