basic_info |
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| Product_Name: | 4-[[[(4-CHLORO-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 535948-50-6 |
| EnglishSynonyms: | 4-[[[(4-CHLORO-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID ; BENZOIC ACID, 4-[[[(4-CHLORO-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]- |
| pro_mdlNumber: | MFCD03572062 |
| pro_acceptors: | 8 |
| pro_donors: | 3 |
| pro_smile: | c1cc(ccc1C(=O)O)NC(=S)NC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl |
| InChi: | InChI=1S/C15H10ClN3O5S/c16-11-6-3-9(7-12(11)19(23)24)13(20)18-15(25)17-10-4-1-8(2-5-10)14(21)22/h1-7H,(H,21,22)(H2,17,18,20,25) |
| InChiKey: | InChIKey=WUVBGJSECLWTRQ-UHFFFAOYSA-N |
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