SpectraBase Spectrum ID |
7pPRc4PqqKK |
Name |
3-Amino-N-[4-(4-hydroxy-3-methoxy-benzylidene)-5-oxo-1-(2,4,6-trichloro-phenyl)-4,5-dihydro-1H-pyrazol-3-yl]-benzamide |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
530.031538139 u |
Formula |
C24H17Cl3N4O4 |
InChI |
InChI=1S/C24H17Cl3N4O4/c1-35-20-8-12(5-6-19(20)32)7-16-22(29-23(33)13-3-2-4-15(28)9-13)30-31(24(16)34)21-17(26)10-14(25)11-18(21)27/h2-11,32H,28H2,1H3,(H,29,30,33)/b16-7- |
InChIKey |
DIBASTNOIOWZCO-APSNUPSMSA-N |
Molecular Weight |
531.783 g/mol |
SMILES |
COC=1C=C(\C=C/2C(N(N=C2NC(C=2C=C(N)C=CC2)=O)C=2C(=CC(=CC2Cl)Cl)Cl)=O)C=CC1O |