5-CHLORO-2-[[[[[5-(3-NITROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID

pro_cas
531527-22-7
pro_cdbregno
CCD00396308
pro_formula
C19 H12 Cl N3 O6 S
pro_molWeight
445.838

basic_info

Product_Name: 5-CHLORO-2-[[[[[5-(3-NITROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
CAS: 531527-22-7
EnglishSynonyms: BENZOIC ACID, 5-CHLORO-2-[[[[[5-(3-NITROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]- ; 5-CHLORO-2-[[[[[5-(3-NITROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
pro_mdlNumber: MFCD03565906
pro_acceptors: 9
pro_donors: 3
pro_smile: c1cc(cc(c1)[N+](=O)[O-])c2ccc(o2)C(=O)NC(=S)Nc3ccc(cc3C(=O)O)Cl
InChi: InChI=1S/C19H12ClN3O6S/c20-11-4-5-14(13(9-11)18(25)26)21-19(30)22-17(24)16-7-6-15(29-16)10-2-1-3-12(8-10)23(27)28/h1-9H,(H,25,26)(H2,21,22,24,30)
InChiKey: InChIKey=JDXXISMZICOFRR-UHFFFAOYSA-N

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