2-CHLORO-5-[[[[3-(3-NITROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID

pro_cas
535980-02-0
pro_cdbregno
CCD00397149
pro_formula
C17 H12 Cl N3 O5 S
pro_molWeight
405.817

basic_info

Product_Name: 2-CHLORO-5-[[[[3-(3-NITROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
CAS: 535980-02-0
EnglishSynonyms: 2-CHLORO-5-[[[[3-(3-NITROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID ; BENZOIC ACID, 2-CHLORO-5-[[[[3-(3-NITROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-
pro_mdlNumber: MFCD03573288
pro_acceptors: 8
pro_donors: 3
pro_smile: c1cc(cc(c1)[N+](=O)[O-])/C=C/C(=O)NC(=S)Nc2ccc(c(c2)C(=O)O)Cl
InChi: InChI=1S/C17H12ClN3O5S/c18-14-6-5-11(9-13(14)16(23)24)19-17(27)20-15(22)7-4-10-2-1-3-12(8-10)21(25)26/h1-9H,(H,23,24)(H2,19,20,22,27)/b7-4+
InChiKey: InChIKey=JTDJRSSWMRESEY-QPJJXVBHSA-N

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