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N-(2-cyanoethyl)-1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrole-2-carboxamide

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N-(2-cyanoethyl)-1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrole-2-carboxamide
SpectraBase Compound ID D5E8oOVsrRk
InChI InChI=1S/C21H22N8O5/c1-26-10-13(7-16(26)19(30)23-6-4-5-22)24-20(31)17-8-14(11-27(17)2)25-21(32)18-9-15(29(33)34)12-28(18)3/h7-12H,4,6H2,1-3H3,(H,23,30)(H,24,31)(H,25,32)
InChIKey MALNYUXANSMISF-UHFFFAOYSA-N
Mol Weight 466.46 g/mol
Molecular Formula C21H22N8O5
Exact Mass 466.171316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3D5oZvUrjZZ
Name N-(2-cyanoethyl)-1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrole-2-carboxamide
Alternate Name(s) N-(2-cyanoethyl)-1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide N-(2-cyanoethyl)-1-methyl-4-[[[1-methyl-4-[[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]-2-pyrrolyl]-oxomethyl]amino]-2-pyrrolecarboxamide
CAS Registry Number 2522-28-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N8O5
InChI InChI=1S/C21H22N8O5/c1-26-10-13(7-16(26)19(30)23-6-4-5-22)24-20(31)17-8-14(11-27(17)2)25-21(32)18-9-15(29(33)34)12-28(18)3/h7-12H,4,6H2,1-3H3,(H,23,30)(H,24,31)(H,25,32)
InChIKey MALNYUXANSMISF-UHFFFAOYSA-N
Molecular Weight 466.458 g/mol
SMILES N(c1cc(C(Nc2cc(C(=O)NCCC#N)[n](c2)C)=O)[n](c1)C)C(c1cc(N(=O)=O)c[n]1C)=O
SPLASH splash10-004i-0090400000-086804adcb55c00d6487
Source of Spectrum F-34-2391-0
Wiley ID 1391872