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

Systemtic Name: (5E)-5-[azanyl(oxidanyl)methylidene]-3-[1,3-bis(oxidanyl)propoxymethyl]-1H-pyrazol-4-one Openeye Name: (5E)-5-[amino(hydroxy)methylene]-3-(1,3-dihydroxypropoxymethyl)-1H-pyrazol-4-one CAS Name: (5E)-5-[amino(hydroxy)methylidene]-3-(1,3-dihydroxypropoxymethyl)-1H-pyrazol-4-one IUPAC Name: (5E)-5-[amino(hydroxy)methylidene]-3-(1,3-dihydroxypropoxymethyl)-1H-pyrazol-4-one Traditional Name: (3E)-3-[amino(hydroxy)methylene]-5-(1,3-dihydroxypropoxymethyl)-2-pyrazolin-4-one Formula: C8H13N3O5 MolecularWeight: 231.20592

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Descriptors Computed from Structure

Canonical SMILES:

C(CO)C(O)OCC1=NNC(=C(N)O)C1=O

Isomeric SMILES

C(CO)C(O)OCC1=NN/C(=C(\N)/O)/C1=O

InChI

InChI=1S/C8H13N3O5/c9-8(15)6-7(14)4(10-11-6)3-16-5(13)1-2-12/h5,11-13,15H,1-3,9H2/b8-6+