(5E)-5-[azanyl(oxidanyl)methylidene]-3-(3-oxidanylpropoxymethyl)-1H-pyrazol-4-one

Systemtic Name: (5E)-5-[azanyl(oxidanyl)methylidene]-3-(3-oxidanylpropoxymethyl)-1H-pyrazol-4-one Openeye Name: (5E)-5-[amino(hydroxy)methylene]-3-(3-hydroxypropoxymethyl)-1H-pyrazol-4-one CAS Name: (5E)-5-[amino(hydroxy)methylidene]-3-(3-hydroxypropoxymethyl)-1H-pyrazol-4-one IUPAC Name: (5E)-5-[amino(hydroxy)methylidene]-3-(3-hydroxypropoxymethyl)-1H-pyrazol-4-one Traditional Name: (3E)-3-[amino(hydroxy)methylene]-5-(3-hydroxypropoxymethyl)-2-pyrazolin-4-one Formula: C8H13N3O4 MolecularWeight: 215.20652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CO)COCC1=NNC(=C(N)O)C1=O

Isomeric SMILES

C(CO)COCC1=NN/C(=C(\N)/O)/C1=O

InChI

InChI=1S/C8H13N3O4/c9-8(14)6-7(13)5(10-11-6)4-15-3-1-2-12/h11-12,14H,1-4,9H2/b8-6+