basic_info |
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| Product_Name: | 4-CHLORO-3-[[[(3-METHYL-4-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 530146-58-8 |
| EnglishSynonyms: | BENZOIC ACID, 4-CHLORO-3-[[[(3-METHYL-4-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]- ; 4-CHLORO-3-[[[(3-METHYL-4-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| pro_mdlNumber: | MFCD03564699 |
| pro_acceptors: | 8 |
| pro_donors: | 3 |
| pro_smile: | Cc1cc(ccc1[N+](=O)[O-])C(=O)NC(=S)Nc2cc(ccc2Cl)C(=O)O |
| InChi: | InChI=1S/C16H12ClN3O5S/c1-8-6-9(3-5-13(8)20(24)25)14(21)19-16(26)18-12-7-10(15(22)23)2-4-11(12)17/h2-7H,1H3,(H,22,23)(H2,18,19,21,26) |
| InChiKey: | InChIKey=IUPBAPSDYGMHDN-UHFFFAOYSA-N |
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