| SpectraBase Spectrum ID |
IF7x8IaX1M1 |
| Name |
N-[(1,5-Dimethyl-3(2H)-oxo-2-phenyl-4-pyrazolyl)aminomethyl]-3-nitrophthalimide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
407.122968662 u |
| Formula |
C20H17N5O5 |
| InChI |
InChI=1S/C20H17N5O5/c1-12-17(20(28)24(22(12)2)13-7-4-3-5-8-13)21-11-23-18(26)14-9-6-10-15(25(29)30)16(14)19(23)27/h3-10,21H,11H2,1-2H3 |
| InChIKey |
VRUFFGGHUUCRAG-UHFFFAOYSA-N |
| Molecular Weight |
407.386 g/mol |
| SMILES |
C1=CC=C(C=C1)N1C(C(NCN2C(=O)C3=C(N(=O)=O)C=CC=C3C2=O)=C(C)N1C)=O |
![N-[(1,5-Dimethyl-3(2H)-oxo-2-phenyl-4-pyrazolyl)aminomethyl]-3-nitrophthalimide](/api/spectrum/IF7x8IaX1M1/structure.png?h=300&w=458 "N-[(1,5-Dimethyl-3(2H)-oxo-2-phenyl-4-pyrazolyl)aminomethyl]-3-nitrophthalimide")
