4-[[[[3-(4-CHLORO-3-NITROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID

pro_cas
530152-72-8
pro_cdbregno
CCD00396206
pro_formula
C17 H12 Cl N3 O5 S
pro_molWeight
405.817

basic_info

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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