| SpectraBase Spectrum ID |
GiDTTxPyBxe |
| Name |
Methyl 3-pyrrolidino-4,5-dihydro-4-oxo-1-(4'-nitrophenyl)-5-phenyl-1H-pyrazol-5-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.143369755 u |
| Formula |
C21H20N4O5 |
| InChI |
InChI=1S/C21H20N4O5/c1-30-21(27)19-18(22-13-5-6-14-22)20(26)24(15-7-3-2-4-8-15)23(19)16-9-11-17(12-10-16)25(28)29/h2-4,7-12H,5-6,13-14H2,1H3 |
| InChIKey |
RTPHROINBOCOKD-UHFFFAOYSA-N |
| Molecular Weight |
408.414 g/mol |
| SMILES |
C1(=C(N(C=2C=CC(N(=O)=O)=CC2)N(C1=O)C1=CC=CC=C1)C(=O)OC)N1CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809463 |
