3-(3-Nitrophenyl)-3-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]propanoic acid ethyl ester

SpectraBase Compound ID	27NxUIKYLRe
InChI	InChI=1S/C21H24N2O8/c1-5-31-19(24)12-16(13-7-6-8-15(9-13)23(26)27)22-21(25)14-10-17(28-2)20(30-4)18(11-14)29-3/h6-11,16H,5,12H2,1-4H3,(H,22,25)
InChIKey	QAGANXXAMHGXQW-UHFFFAOYSA-N Google Search
Mol Weight	432.43 g/mol
Molecular Formula	C21H24N2O8
Exact Mass	432.153266 g/mol

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SpectraBase Spectrum ID	4BX22jf4byA
Name	3-(3-Nitrophenyl)-3-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]propanoic acid ethyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	432.153265733 u
Formula	C21H24N2O8
InChI	InChI=1S/C21H24N2O8/c1-5-31-19(24)12-16(13-7-6-8-15(9-13)23(26)27)22-21(25)14-10-17(28-2)20(30-4)18(11-14)29-3/h6-11,16H,5,12H2,1-4H3,(H,22,25)
InChIKey	QAGANXXAMHGXQW-UHFFFAOYSA-N
Molecular Weight	432.429 g/mol
SMILES	CCOC(CC(NC(C1=CC(OC)=C(C(=C1)OC)OC)=O)C=1C=C(N(=O)=O)C=CC1)=O