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2-methylpropyl 1-(cyanomethyl)-5-fluoranyl-6-oxidanylidene-pyridine-3-carboxylate

2-methylpropyl 1-(cyanomethyl)-5-fluoranyl-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name:2-methylpropyl 1-(cyanomethyl)-5-fluoranyl-6-oxidanylidene-pyridine-3-carboxylate
Openeye Name:isobutyl 1-(cyanomethyl)-5-fluoro-6-oxo-pyridine-3-carboxylate
CAS Name:1-(cyanomethyl)-5-fluoro-6-oxo-3-pyridinecarboxylic acid 2-methylpropyl ester
IUPAC Name:2-methylpropyl 1-(cyanomethyl)-5-fluoro-6-oxopyridine-3-carboxylate
Traditional Name:1-(cyanomethyl)-5-fluoro-6-keto-nicotinic acid isobutyl ester
Formula: C12H13FN2O3
MolecularWeight: 252.241623
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CN(C(=O)C(=C1)F)CC#N


Isomeric SMILES

CC(C)COC(=O)C1=CN(C(=O)C(=C1)F)CC#N


InChI

InChI=1S/C12H13FN2O3/c1-8(2)7-18-12(17)9-5-10(13)11(16)15(6-9)4-3-14/h5-6,8H,4,7H2,1-2H3


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