(5E)-3-(2-hydroxyethyloxymethyl)-5-[methoxy(oxidanyl)methylidene]-1H-pyrazol-4-one

Systemtic Name: (5E)-3-(2-hydroxyethyloxymethyl)-5-[methoxy(oxidanyl)methylidene]-1H-pyrazol-4-one Openeye Name: (5E)-3-(2-hydroxyethoxymethyl)-5-[hydroxy(methoxy)methylene]-1H-pyrazol-4-one CAS Name: (5E)-3-(2-hydroxyethoxymethyl)-5-[hydroxy(methoxy)methylidene]-1H-pyrazol-4-one IUPAC Name: (5E)-3-(2-hydroxyethoxymethyl)-5-[hydroxy(methoxy)methylidene]-1H-pyrazol-4-one Traditional Name: (5E)-3-(2-hydroxyethoxymethyl)-5-[hydroxy(methoxy)methylene]-2-pyrazolin-4-one Formula: C8H12N2O5 MolecularWeight: 216.19128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C1C(=O)C(=NN1)COCCO)O

Isomeric SMILES

CO/C(=C/1\C(=O)C(=NN1)COCCO)/O

InChI

InChI=1S/C8H12N2O5/c1-14-8(13)6-7(12)5(9-10-6)4-15-3-2-11/h10-11,13H,2-4H2,1H3/b8-6+