| SpectraBase Spectrum ID |
B22SqVJJxyV |
| Name |
3H-Pyrazol-3-one, 2-(3-chlorophenyl)-2,4-dihydro-4-[[(2-iodophenyl)amino]methylene]-5-methyl-, (4E)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
436.979184750 u |
| Formula |
C17H13ClIN3O |
| InChI |
InChI=1S/C17H13ClIN3O/c1-11-14(10-20-16-8-3-2-7-15(16)19)17(23)22(21-11)13-6-4-5-12(18)9-13/h2-10,20H,1H3/b14-10+ |
| InChIKey |
MUJBGEDKIHGHRI-GXDHUFHOSA-N |
| Molecular Weight |
437.668 g/mol |
| SMILES |
N(\C=C\1C(N(N=C1C)C=1C=C(Cl)C=CC1)=O)C1=C(I)C=CC=C1 |
![3H-pyrazol-3-one, 2-(3-chlorophenyl)-2,4-dihydro-4-[[(2-iodophenyl)amino]methylene]-5-methyl-, (4E)-](/api/spectrum/B22SqVJJxyV/structure.png?h=300&w=458 "3H-pyrazol-3-one, 2-(3-chlorophenyl)-2,4-dihydro-4-[[(2-iodophenyl)amino]methylene]-5-methyl-, (4E)-")
