6-[3-(2,2-dimethyl-1-oxopropyl)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]hexanoic acid

SpectraBase Compound ID	L9csIbqWssZ
InChI	InChI=1S/C21H26N2O7/c1-21(2,3)19(27)16-17(13-8-10-14(11-9-13)23(29)30)22(20(28)18(16)26)12-6-4-5-7-15(24)25/h8-11,17,26H,4-7,12H2,1-3H3,(H,24,25)
InChIKey	JWVKTDUWXSYLSD-UHFFFAOYSA-N Google Search
Mol Weight	418.45 g/mol
Molecular Formula	C21H26N2O7
Exact Mass	418.174001 g/mol

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SpectraBase Spectrum ID	3kgZ5KpMska
Name	6-[3-(2,2-dimethyl-1-oxopropyl)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]hexanoic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H26N2O7
InChI	InChI=1S/C21H26N2O7/c1-21(2,3)19(27)16-17(13-8-10-14(11-9-13)23(29)30)22(20(28)18(16)26)12-6-4-5-7-15(24)25/h8-11,17,26H,4-7,12H2,1-3H3,(H,24,25)
InChIKey	JWVKTDUWXSYLSD-UHFFFAOYSA-N
Molecular Weight	418.446 g/mol
SMILES	OC(CCCCCN1C(C(=C(C1=O)O)C(C(C)(C)C)=O)c1ccc(N(=O)=O)cc1)=O
SPLASH	splash10-052f-9322000000-7a6959b746e22de0d6d3
Synonyms	6-[3-(2,2-dimethylpropanoyl)-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]hexanoic acid 6-[3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid 6-[3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]hexanoic acid 6-[3-hydroxy-2-keto-5-(4-nitrophenyl)-4-pivaloyl-3-pyrrolin-1-yl]hexanoic acid
Wiley ID	1460026