| SpectraBase Spectrum ID |
18bY0gGpV4b |
| Name |
Benzoic acid, 4-[(E)-[1-(3-chlorophenyl)-2,5-dioxo-3-pyrrolidinylidene]methyl]-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
355.061135631 u |
| Formula |
C19H14ClNO4 |
| InChI |
InChI=1S/C19H14ClNO4/c1-25-19(24)13-7-5-12(6-8-13)9-14-10-17(22)21(18(14)23)16-4-2-3-15(20)11-16/h2-9,11H,10H2,1H3/b14-9+ |
| InChIKey |
QHUWEEQSLQLEAO-NTEUORMPSA-N |
| Molecular Weight |
355.777 g/mol |
| SMILES |
COC(C1=CC=C(\C=C\2C(N(C(C2)=O)C2=CC(Cl)=CC=C2)=O)C=C1)=O |
![benzoic acid, 4-[(E)-[1-(3-chlorophenyl)-2,5-dioxo-3-pyrrolidinylidene]methyl]-, methyl ester](/api/spectrum/18bY0gGpV4b/structure.png?h=300&w=458 "benzoic acid, 4-[(E)-[1-(3-chlorophenyl)-2,5-dioxo-3-pyrrolidinylidene]methyl]-, methyl ester")
