basic_info |
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| Product_Name： | 5-BROMO-2-[[[(4-ETHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS： | 530134-26-0 |
| EnglishSynonyms： | 5-BROMO-2-[[[(4-ETHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID ; BENZOIC ACID, 5-BROMO-2-[[[(4-ETHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]- |
| pro_mdlNumber： | MFCD03564146 |
| pro_acceptors： | 9 |
| pro_donors： | 3 |
| pro_smile： | CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc2ccc(cc2C(=O)O)Br |
| InChi： | InChI=1S/C17H14BrN3O6S/c1-2-27-14-6-3-9(7-13(14)21(25)26)15(22)20-17(28)19-12-5-4-10(18)8-11(12)16(23)24/h3-8H,2H2,1H3,(H,23,24)(H2,19,20,22,28) |
| InChiKey： | InChIKey=JBEPTQUFOXKUOK-UHFFFAOYSA-N |
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English![5-BROMO-2-[[[(4-ETHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID](http://www.chemcd.com/createImage?smile=CCOc1ccc%28cc1%5BN%2B%5D%28%3DO%29%5BO-%5D%29C%28%3DO%29NC%28%3DS%29Nc2ccc%28cc2C%28%3DO%29O%29Br&size=web.jpg)