2-oxidanyl-6-oxidanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile dihydrate

Systemtic Name: 2-oxidanyl-6-oxidanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile dihydrate Openeye Name: 2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile dihydrate CAS Name: 2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile dihydrate IUPAC Name: 2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile dihydrate Traditional Name: 2-hydroxy-6-keto-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile dihydrate Formula: C7H7F3N2O4 MolecularWeight: 240.13669

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(NC1=O)O)C#N)C(F)(F)F.O.O

Isomeric SMILES

C1=C(C(=C(NC1=O)O)C#N)C(F)(F)F.O.O

InChI

InChI=1S/C7H3F3N2O2.2H2O/c8-7(9,10)4-1-5(13)12-6(14)3(4)2-11;;/h1H,(H2,12,13,14);2*1H2