| SpectraBase Spectrum ID |
AEtJt9Ca4t9 |
| Name |
Diethyl 1-{[(4-chloroanilino)acetyl]amino}-2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
421.140448580 u |
| Formula |
C20H24ClN3O5 |
| InChI |
InChI=1S/C20H24ClN3O5/c1-5-28-19(26)17-12(3)24(13(4)18(17)20(27)29-6-2)23-16(25)11-22-15-9-7-14(21)8-10-15/h7-10,22H,5-6,11H2,1-4H3,(H,23,25) |
| InChIKey |
XHGKIFDZZRUBPY-UHFFFAOYSA-N |
| Molecular Weight |
421.881 g/mol |
| SMILES |
N(N1C(=C(C(=C1C)C(=O)OCC)C(=O)OCC)C)C(CNC=1C=CC(=CC1)Cl)=O |
![diethyl 1-{[(4-chloroanilino)acetyl]amino}-2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate](/api/spectrum/AEtJt9Ca4t9/structure.png?h=300&w=458 "diethyl 1-{[(4-chloroanilino)acetyl]amino}-2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate")
