| SpectraBase Spectrum ID |
2BP9Um5wgPo |
| Name |
4-[(Z)-[1-(4-Chlorophenyl)-2,4,6-triketo-hexahydropyrimidin-5-ylidene]methyl]benzoic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.035649157 u |
| Formula |
C18H11ClN2O5 |
| InChI |
InChI=1S/C18H11ClN2O5/c19-12-5-7-13(8-6-12)21-16(23)14(15(22)20-18(21)26)9-10-1-3-11(4-2-10)17(24)25/h1-9H,(H,24,25)(H,20,22,26)/b14-9- |
| InChIKey |
UTAOZDCWJWIZMP-ZROIWOOFSA-N |
| Molecular Weight |
370.748 g/mol |
| SMILES |
C1=C(Cl)C=CC(N2C(\C(=C/C3=CC=C(C(=O)O)C=C3)C(NC2=O)=O)=O)=C1 |
![4-[(Z)-[1-(4-chlorophenyl)-2,4,6-triketo-hexahydropyrimidin-5-ylidene]methyl]benzoic acid](/api/spectrum/2BP9Um5wgPo/structure.png?h=300&w=458 "4-[(Z)-[1-(4-chlorophenyl)-2,4,6-triketo-hexahydropyrimidin-5-ylidene]methyl]benzoic acid")
