SpectraBase Spectrum ID |
IsHQarF2M5S |
Name |
Benzoic acid, 4-[[5-[2-(4-chlorophenyl)-2-oxoethoxy]-1,5-dioxopentyl]amino]-, methyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
417.097915062 u |
Formula |
C21H20ClNO6 |
InChI |
InChI=1S/C21H20ClNO6/c1-28-21(27)15-7-11-17(12-8-15)23-19(25)3-2-4-20(26)29-13-18(24)14-5-9-16(22)10-6-14/h5-12H,2-4,13H2,1H3,(H,23,25) |
InChIKey |
XZRNPIWAKUYWPT-UHFFFAOYSA-N |
Molecular Weight |
417.845 g/mol |
SMILES |
N(C(=O)CCCC(OCC(C1=CC=C(C=C1)Cl)=O)=O)C=1C=CC(C(=O)OC)=CC1 |