| SpectraBase Spectrum ID |
ImNI9gkeLwH |
| Name |
Benzoic acid, 4-chloro-2-[[(E)-(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]amino]-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
369.088019084 u |
| Formula |
C19H16ClN3O3 |
| InChI |
InChI=1S/C19H16ClN3O3/c1-12-16(18(24)23(22-12)14-6-4-3-5-7-14)11-21-17-10-13(20)8-9-15(17)19(25)26-2/h3-11,21H,1-2H3/b16-11+ |
| InChIKey |
ZGJFGSXKYGBVRZ-LFIBNONCSA-N |
| Molecular Weight |
369.808 g/mol |
| SMILES |
N(C1=C(C(=O)OC)C=CC(=C1)Cl)\C=C\1C(N(N=C1C)C=1C=CC=CC1)=O |
![benzoic acid, 4-chloro-2-[[(E)-(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]amino]-, methyl ester](/api/spectrum/ImNI9gkeLwH/structure.png?h=300&w=458 "benzoic acid, 4-chloro-2-[[(E)-(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]amino]-, methyl ester")
