basic_info |
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Product_Name: | 2,3,4,5-TETRAHYDRO-5,5-DIMETHYL-7-NITRO-1H-BENZO[B]AZEPINE |
CAS: | 1022971-77-2 |
EnglishSynonyms: | 2,3,4,5-TETRAHYDRO-5,5-DIMETHYL-7-NITRO-1H-BENZO[B]AZEPINE ; 5,5-DIMETHYL-7-NITROBENZO[B]AZEPANE |
pro_mdlNumber: | MFCD18375173 |
pro_acceptors: | 4 |
pro_donors: | 1 |
pro_smile: | CC1(CCCNc2c1cc(cc2)[N+](=O)[O-])C |
InChi: | InChI=1S/C12H16N2O2/c1-12(2)6-3-7-13-11-5-4-9(14(15)16)8-10(11)12/h4-5,8,13H,3,6-7H2,1-2H3 |
InChiKey: | InChIKey=UMVFKDXVYYBBQN-UHFFFAOYSA-N |
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