basic_info |
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| Product_Name: | 4-[[[[3-(4-CHLORO-3-NITROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 530152-72-8 |
| EnglishSynonyms: | BENZOIC ACID, 4-[[[[3-(4-CHLORO-3-NITROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]- ; 4-[[[[3-(4-CHLORO-3-NITROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| pro_mdlNumber: | MFCD03565094 |
| pro_acceptors: | 8 |
| pro_donors: | 3 |
| pro_smile: | c1cc(ccc1C(=O)O)NC(=S)NC(=O)/C=C/c2ccc(c(c2)[N+](=O)[O-])Cl |
| InChi: | InChI=1S/C17H12ClN3O5S/c18-13-7-1-10(9-14(13)21(25)26)2-8-15(22)20-17(27)19-12-5-3-11(4-6-12)16(23)24/h1-9H,(H,23,24)(H2,19,20,22,27)/b8-2+ |
| InChiKey: | InChIKey=QFEQIPGWCLLFEH-KRXBUXKQSA-N |
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