basic_info |
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Product_Name: | ETHYL 15-BROMO-2,4,8,9,11-PENTAAZATETRACYCLO[11.4.0.0(2,6).0(8,12)]HEPTADECA-1(17),3,5,9,11,13,15-HEPTAENE-5-CARBOXYLATE |
CAS: | 882517-43-3 |
EnglishSynonyms: | ETHYL 15-BROMO-2,4,8,9,11-PENTAAZATETRACYCLO[11.4.0.0(2,6).0(8,12)]HEPTADECA-1(17),3,5,9,11,13,15-HEPTAENE-5-CARBOXYLATE |
pro_mdlNumber: | MFCD18633134 |
pro_acceptors: | 7 |
pro_donors: | 0 |
pro_smile: | CCOC(=O)c1c2n(cn1)-c3ccc(cc3-c4ncnn4C2)Br |
InChi: | InChI=1S/C15H12BrN5O2/c1-2-23-15(22)13-12-6-21-14(17-7-19-21)10-5-9(16)3-4-11(10)20(12)8-18-13/h3-5,7-8H,2,6H2,1H3 |
InChiKey: | InChIKey=MCLMDSQSSOOSRY-UHFFFAOYSA-N |
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