basic_info |
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| Product_Name: | 4-[1-(1-METHYLETHYL)-6-NITRO-1H-INDOL-3-YL]-BENZONITRILE |
| CAS: | 945556-93-4 |
| EnglishSynonyms: | 4-[1-(1-METHYLETHYL)-6-NITRO-1H-INDOL-3-YL]-BENZONITRILE ; BENZONITRILE, 4-[1-(1-METHYLETHYL)-6-NITRO-1H-INDOL-3-YL]- |
| pro_mdlNumber: | MFCD15528110 |
| pro_acceptors: | 5 |
| pro_donors: | 0 |
| pro_smile: | CC(C)n1cc(c2c1cc(cc2)[N+](=O)[O-])c3ccc(cc3)C#N |
| InChi: | InChI=1S/C18H15N3O2/c1-12(2)20-11-17(14-5-3-13(10-19)4-6-14)16-8-7-15(21(22)23)9-18(16)20/h3-9,11-12H,1-2H3 |
| InChiKey: | InChIKey=BEPNUAUWNOJHRN-UHFFFAOYSA-N |
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