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

Systemtic Name: (5E)-5-[azanyl(oxidanyl)methylidene]-3-(2-iodanylethoxymethyl)-1H-pyrazol-4-one Openeye Name: (5E)-5-[amino(hydroxy)methylene]-3-(2-iodoethoxymethyl)-1H-pyrazol-4-one CAS Name: (5E)-5-[amino(hydroxy)methylidene]-3-(2-iodoethoxymethyl)-1H-pyrazol-4-one IUPAC Name: (5E)-5-[amino(hydroxy)methylidene]-3-(2-iodoethoxymethyl)-1H-pyrazol-4-one Traditional Name: (3E)-3-[amino(hydroxy)methylene]-5-(2-iodoethoxymethyl)-2-pyrazolin-4-one Formula: C7H10IN3O3 MolecularWeight: 311.07707

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H10IN3O3/c8-1-2-14-3-4-6(12)5(7(9)13)11-10-4/h11,13H,1-3,9H2/b7-5+