4-CHLORO-3-[3-(4-METHOXY-3-NITRO-BENZOYL)-THIOUREIDO]-BENZOIC ACID

pro_cas
532417-18-8
pro_cdbregno
CCD00396754
pro_formula
C16 H12 Cl N3 O6 S
pro_molWeight
409.805

basic_info

Product_Name: 4-CHLORO-3-[3-(4-METHOXY-3-NITRO-BENZOYL)-THIOUREIDO]-BENZOIC ACID
CAS: 532417-18-8
EnglishSynonyms: BENZOIC ACID, 4-CHLORO-3-[[[(4-METHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]- ; 4-CHLORO-3-[[[(4-METHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID ; 4-CHLORO-3-[3-(4-METHOXY-3-NITRO-BENZOYL)-THIOUREIDO]-BENZOIC ACID
pro_mdlNumber: MFCD03569784
pro_acceptors: 9
pro_donors: 3
pro_smile: COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc2cc(ccc2Cl)C(=O)O
InChi: InChI=1S/C16H12ClN3O6S/c1-26-13-5-3-8(7-12(13)20(24)25)14(21)19-16(27)18-11-6-9(15(22)23)2-4-10(11)17/h2-7H,1H3,(H,22,23)(H2,18,19,21,27)
InChiKey: InChIKey=MEYKUBMIUVUWOH-UHFFFAOYSA-N

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