2-METHYL-3-[[[[(2-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID

CAS No.
535964-32-0
CCD No.
CCD00397081
Formula
C17 H15 N3 O6 S
MolWeight
389.387

Basic Information

Product Name: 2-METHYL-3-[[[[(2-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
CAS: 535964-32-0
English Synonyms: 2-METHYL-3-[[[[(2-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID ; BENZOIC ACID, 2-METHYL-3-[[[[(2-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-
MDL Number.: MFCD03572702
H bond acceptor: 9
H bond donor: 3
Smile: Cc1c(cccc1NC(=S)NC(=O)COc2ccccc2[N+](=O)[O-])C(=O)O
InChi: InChI=1S/C17H15N3O6S/c1-10-11(16(22)23)5-4-6-12(10)18-17(27)19-15(21)9-26-14-8-3-2-7-13(14)20(24)25/h2-8H,9H2,1H3,(H,22,23)(H2,18,19,21,27)
InChiKey: InChIKey=XJQHGFFOPSUYRN-UHFFFAOYSA-N

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