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

Systemtic Name: (5E)-5-[methoxy(oxidanyl)methylidene]-3-(propan-2-yloxymethyl)-1H-pyrazol-4-one Openeye Name: (5E)-5-[hydroxy(methoxy)methylene]-3-(isopropoxymethyl)-1H-pyrazol-4-one CAS Name: (5E)-5-[hydroxy(methoxy)methylidene]-3-(propan-2-yloxymethyl)-1H-pyrazol-4-one IUPAC Name: (5E)-5-[hydroxy(methoxy)methylidene]-3-(propan-2-yloxymethyl)-1H-pyrazol-4-one Traditional Name: (3E)-3-[hydroxy(methoxy)methylene]-5-(isopropoxymethyl)-2-pyrazolin-4-one Formula: C9H14N2O4 MolecularWeight: 214.21846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1=NNC(=C(O)OC)C1=O

Isomeric SMILES

CC(C)OCC1=NN/C(=C(\O)/OC)/C1=O

InChI

InChI=1S/C9H14N2O4/c1-5(2)15-4-6-8(12)7(11-10-6)9(13)14-3/h5,11,13H,4H2,1-3H3/b9-7+