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

CAS号
532940-44-6
CCD编号
CCD00396619
分子式
C17 H15 N3 O6 S
分子量
389.387

基本信息

产品名称: 4-METHYL-3-[[[[(2-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
CAS: 532940-44-6
英文同义词: BENZOIC ACID, 4-METHYL-3-[[[[(2-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]- ; 4-METHYL-3-[[[[(2-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
MDL号: MFCD03568742
氢键受体数量: 9
氢键供体数量: 3
Smile: Cc1ccc(cc1NC(=S)NC(=O)COc2ccccc2[N+](=O)[O-])C(=O)O
InChi: InChI=1S/C17H15N3O6S/c1-10-6-7-11(16(22)23)8-12(10)18-17(27)19-15(21)9-26-14-5-3-2-4-13(14)20(24)25/h2-8H,9H2,1H3,(H,22,23)(H2,18,19,21,27)
InChiKey: InChIKey=BPPIANBHLNRXPW-UHFFFAOYSA-N

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