SpectraBase Spectrum ID |
42ibt3AuUCX |
Name |
4-{[p-(Diethylamino)phenyl]imino}-1-(p-nitrophenyl)-3-phenyl-2-pyrazolin-5-one |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
441.180089618 u |
Formula |
C25H23N5O3 |
InChI |
InChI=1S/C25H23N5O3/c1-3-28(4-2)20-12-10-19(11-13-20)26-24-23(18-8-6-5-7-9-18)27-29(25(24)31)21-14-16-22(17-15-21)30(32)33/h5-17H,3-4H2,1-2H3/b26-24+ |
InChIKey |
DFICMFXNOMFDLR-SHHOIMCASA-N |
Molecular Weight |
441.491 g/mol |
SMILES |
CCN(C=1C=CC(=CC1)\N=C/1C(=NN(C1=O)C1=CC=C(C=C1)N(=O)=O)C1=CC=CC=C1)CC |