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1-[4-nitro-2-(2-thenoylamino)benzoyl]isonipecotamide
SpectraBase Compound ID tWZWfpdOhJ
InChI InChI=1S/C18H18N4O5S/c19-16(23)11-5-7-21(8-6-11)18(25)13-4-3-12(22(26)27)10-14(13)20-17(24)15-2-1-9-28-15/h1-4,9-11H,5-8H2,(H2,19,23)(H,20,24)
InChIKey JDVFLUCJIHRLPY-UHFFFAOYSA-N
Mol Weight 402.43 g/mol
Molecular Formula C18H18N4O5S
Exact Mass 402.099791 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AxMVJVkfeS4
Name 1-[4-nitro-2-(2-thenoylamino)benzoyl]isonipecotamide
Alternate Name(s) 1-[4-nitro-2-(thiophen-2-ylcarbonylamino)phenyl]carbonylpiperidine-4-carboxamide 1-[4-nitro-2-(thiophene-2-carbonylamino)benzoyl]piperidine-4-carboxamide 1-[[4-nitro-2-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-oxomethyl]-4-piperidinecarboxamide
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Formula C18H18N4O5S
InChI InChI=1S/C18H18N4O5S/c19-16(23)11-5-7-21(8-6-11)18(25)13-4-3-12(22(26)27)10-14(13)20-17(24)15-2-1-9-28-15/h1-4,9-11H,5-8H2,(H2,19,23)(H,20,24)
InChIKey JDVFLUCJIHRLPY-UHFFFAOYSA-N
Molecular Weight 402.425 g/mol
SMILES NC(C1CCN(C(c2c(cc(cc2)N(=O)=O)NC(c2sccc2)=O)=O)CC1)=O
SPLASH splash10-03di-9710000000-d28c80fd497300f759d6
Wiley ID 1454481