| SpectraBase Spectrum ID |
EJdhZ7KrzXu |
| Name |
Benzoic acid, 4-[1-(3-chloro-2-methylphenyl)-4,5,6,7-tetrahydro-3-methyl-6-oxo-1H-pyrazolo[3,4-B]pyridin-4-yl]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
395.103669149 u |
| Formula |
C21H18ClN3O3 |
| InChI |
InChI=1S/C21H18ClN3O3/c1-11-16(22)4-3-5-17(11)25-20-19(12(2)24-25)15(10-18(26)23-20)13-6-8-14(9-7-13)21(27)28/h3-9,15H,10H2,1-2H3,(H,23,26)(H,27,28) |
| InChIKey |
IBIXKFCRWXQVEU-UHFFFAOYSA-N |
| Molecular Weight |
395.846 g/mol |
| SMILES |
OC(C1=CC=C(C2C=3C(=NN(C3NC(C2)=O)C2=C(C(Cl)=CC=C2)C)C)C=C1)=O |
![benzoic acid, 4-[1-(3-chloro-2-methylphenyl)-4,5,6,7-tetrahydro-3-methyl-6-oxo-1H-pyrazolo[3,4-b]pyridin-4-yl]-](/api/spectrum/EJdhZ7KrzXu/structure.png?h=300&w=458 "benzoic acid, 4-[1-(3-chloro-2-methylphenyl)-4,5,6,7-tetrahydro-3-methyl-6-oxo-1H-pyrazolo[3,4-b]pyridin-4-yl]-")
