basic_info |
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Product_Name: | 2-TERT-BUTOXYCARBONYLAMINO-4-NITRO-BENZOIC ACID METHYL ESTER |
CAS: | 147291-59-6 |
EnglishSynonyms: | 2-TERT-BUTOXYCARBONYLAMINO-4-NITRO-BENZOIC ACID METHYL ESTER |
pro_mdlNumber: | MFCD16877071 |
pro_acceptors: | 8 |
pro_donors: | 1 |
pro_smile: | COC(C1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C)=O |
InChi: | InChI=1S/C13H16N2O6/c1-13(2,3)21-12(17)14-10-7-8(15(18)19)5-6-9(10)11(16)20-4/h5-7H,1-4H3,(H,14,17) |
InChiKey: | InChIKey=WNZDDKIJYISPMT-UHFFFAOYSA-N |
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