basic_info |
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Product_Name: | 2-(4-METHYL-BENZYL)-5-(3-NITRO-PHENYL)-[1,3,4]OXADIAZOLE |
EnglishSynonyms: | 2-(4-METHYL-BENZYL)-5-(3-NITRO-PHENYL)-[1,3,4]OXADIAZOLE |
pro_mdlNumber: | MFCD15204142 |
pro_acceptors: | 6 |
pro_donors: | 0 |
pro_smile: | Cc1ccc(cc1)Cc2nnc(o2)c3cccc(c3)[N+](=O)[O-] |
InChi: | InChI=1S/C16H13N3O3/c1-11-5-7-12(8-6-11)9-15-17-18-16(22-15)13-3-2-4-14(10-13)19(20)21/h2-8,10H,9H2,1H3 |
InChiKey: | InChIKey=QZXUINWCYIOVOC-UHFFFAOYSA-N |
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