basic_info |
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| Product_Name: | 2-[[[[[5-(3-NITROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 532953-59-6 |
| EnglishSynonyms: | 2-[[[[[5-(3-NITROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID ; BENZOIC ACID, 2-[[[[[5-(3-NITROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]- |
| pro_mdlNumber: | MFCD03574225 |
| pro_acceptors: | 9 |
| pro_donors: | 3 |
| pro_smile: | c1ccc(c(c1)C(=O)O)NC(=S)NC(=O)c2ccc(o2)c3cccc(c3)[N+](=O)[O-] |
| InChi: | InChI=1S/C19H13N3O6S/c23-17(21-19(29)20-14-7-2-1-6-13(14)18(24)25)16-9-8-15(28-16)11-4-3-5-12(10-11)22(26)27/h1-10H,(H,24,25)(H2,20,21,23,29) |
| InChiKey: | InChIKey=HOLQDICJLRZBLB-UHFFFAOYSA-N |
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