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

CAS No.
532953-59-6
CCD No.
CCD00397261
Formula
C19 H13 N3 O6 S
MolWeight
411.393

Basic Information

Product Name: 2-[[[[[5-(3-NITROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
CAS: 532953-59-6
English Synonyms: BENZOIC ACID, 2-[[[[[5-(3-NITROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]- ; 2-[[[[[5-(3-NITROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
MDL Number.: MFCD03574225
H bond acceptor: 9
H bond donor: 3
Smile: c1ccc(c(c1)C(=O)O)NC(=S)NC(=O)c2ccc(o2)c3cccc(c3)[N+](=O)[O-]
InChi: InChI=1S/C19H13N3O6S/c23-17(21-19(29)20-14-7-2-1-6-13(14)18(24)25)16-9-8-15(28-16)11-4-3-5-12(10-11)22(26)27/h1-10H,(H,24,25)(H2,20,21,23,29)
InChiKey: InChIKey=HOLQDICJLRZBLB-UHFFFAOYSA-N

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