YQA
Summary
| Name: | 5-hydroxy,-4,5-dihydroquinolinate |
| Formula: | C7 H7 N O5 |
| Formal charge: | 0 |
| Formula weight: | 185.134 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (3~{R})-3-oxidanyl-3,4-dihydropyridine-5,6-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H7NO5/c9-3-1-4(6(10)11)5(7(12)13)8-2-3/h2-3,9H,1H2,(H,10,11)(H,12,13)/t3-/m1/s1 |
| InChIKey | InChI | 1.03 | DNLLCWBTFPFCLN-GSVOUGTGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CC(=C(N=C1)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | O[CH]1CC(=C(N=C1)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1[C@H](C=NC(=C1C(=O)O)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1C(C=NC(=C1C(=O)O)C(=O)O)O |
