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N-[2-[3-(4-chloro-benzoyl)-4-hydroxy-2-(4-nitro-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-ethyl]-acetamide
SpectraBase Compound ID 6eQRn2IrEYD
InChI InChI=1S/C21H18ClN3O6/c1-12(26)23-10-11-24-18(13-4-8-16(9-5-13)25(30)31)17(20(28)21(24)29)19(27)14-2-6-15(22)7-3-14/h2-9,18,28H,10-11H2,1H3,(H,23,26)
InChIKey WTRKQFMQIUBUGN-UHFFFAOYSA-N
Mol Weight 443.84 g/mol
Molecular Formula C21H18ClN3O6
Exact Mass 443.088413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DAuwpZAi44P
Name N-[2-[3-(4-chloro-benzoyl)-4-hydroxy-2-(4-nitro-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-ethyl]-acetamide
Alternate Name(s) N-{2-[3-(4-chlorobenzoyl)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]ethyl}acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18ClN3O6
InChI InChI=1S/C21H18ClN3O6/c1-12(26)23-10-11-24-18(13-4-8-16(9-5-13)25(30)31)17(20(28)21(24)29)19(27)14-2-6-15(22)7-3-14/h2-9,18,28H,10-11H2,1H3,(H,23,26)
InChIKey WTRKQFMQIUBUGN-UHFFFAOYSA-N
Molecular Weight 443.843 g/mol
SMILES N(C(=O)C)CCN1C(C(=C(C1=O)O)C(c1ccc(cc1)Cl)=O)c1ccc(N(=O)=O)cc1
SPLASH splash10-000f-8921000000-d563efb444b816e78a99
Wiley ID 1447157