basic_info |
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| Product_Name: | 5-BROMO-2-[[[(3-METHYL-4-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 532432-40-9 |
| EnglishSynonyms: | BENZOIC ACID, 5-BROMO-2-[[[(3-METHYL-4-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]- ; 5-BROMO-2-[[[(3-METHYL-4-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| pro_mdlNumber: | MFCD03570273 |
| pro_acceptors: | 8 |
| pro_donors: | 3 |
| pro_smile: | Cc1cc(ccc1[N+](=O)[O-])C(=O)NC(=S)Nc2ccc(cc2C(=O)O)Br |
| InChi: | InChI=1S/C16H12BrN3O5S/c1-8-6-9(2-5-13(8)20(24)25)14(21)19-16(26)18-12-4-3-10(17)7-11(12)15(22)23/h2-7H,1H3,(H,22,23)(H2,18,19,21,26) |
| InChiKey: | InChIKey=BSHUXROFBAVIHU-UHFFFAOYSA-N |
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