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Nifursol-¹⁵N2,d2 , CAS No.1246833-64-6
Basic Description
Synonyms | Nifursol-15N2,d2 | 2-Hydroxy-3,5-dinitro-N'-{(E)-[5-nitro(~2~H_2_)furan-2-yl]methylidene}(~15~N_2_)benzohydrazide | DTXSID20858166 | 1246833-64-6 | N-[(E)-(3,4-Dideuterio-5-nitrofuran-2-yl)methylideneamino]-2-hydroxy-3,5-dinitro(15N)benzamide |
Shipped In | Normal |
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Names and Identifiers
IUPAC Name | N-[(E)-(3,4-dideuterio-5-nitrofuran-2-yl)methylideneamino]-2-hydroxy-3,5-dinitro(15N)benzamide |
INCHI | InChI=1S/C12H7N5O9/c18-11-8(3-6(15(20)21)4-9(11)16(22)23)12(19)14-13-5-7-1-2-10(26-7)17(24)25/h1-5,18H,(H,14,19)/b13-5+/i1D,2D,13+1,14+1 |
InChi Key | XXUXXCZCUGIGPP-QGMBFAGFSA-N |
Canonical SMILES | C1=C(OC(=C1)[N+](=O)[O-])C=NNC(=O)C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O |
Isomeric SMILES | [2H]C1=C(OC(=C1[2H])[N+](=O)[O-])/C=[15N]/[15NH]C(=O)C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O |
PubChem CID | 71750947 |
Molecular Weight | 369.21 |
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