basic_info |
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Product_Name: | (2,4-二羰基-2H-3,1-苯并噁嗪-1(4H)-基)乙酸 |
CAS: | 80712-35-2 |
中文同义词: | (2,4-二羰基-2H-3,1-苯并噁嗪-1(4H)-基)乙酸 |
EnglishSynonyms: | BENZOIC ACID, 4-(4-((((DIMETHYLAMINO)CARBONYL)METHYLAMINO)CARBONYL)-1-PIPERAZINYL)-, HYDRATE (4:1) |
pro_mdlNumber: | MFCD01762586 |
pro_acceptors: | 8 |
pro_donors: | 1 |
pro_smile: | CN(C)C(=O)N(C)C(=O)N1CCN(CC1)c2ccc(cc2)C(=O)O.O |
InChi: | InChI=1S/C16H22N4O4.H2O/c1-17(2)15(23)18(3)16(24)20-10-8-19(9-11-20)13-6-4-12(5-7-13)14(21)22;/h4-7H,8-11H2,1-3H3,(H,21,22);1H2 |
InChiKey: | InChIKey=JNQKCPKZVXKHIS-UHFFFAOYSA-N |
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