D1X
Summary
| Name: | 2,6-dioxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid |
| Formula: | C6 H5 N O4 |
| Formal charge: | 0 |
| Formula weight: | 155.108 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,6-dioxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid |
| OpenEye OEToolkits | 1.7.0 | 2,6-dioxo-3H-pyridine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NC(=O)C=C(C(=O)O)C1 |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)C1=CC(=O)NC(=O)C1 |
| SMILES | CACTVS | 3.370 | OC(=O)C1=CC(=O)NC(=O)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C1C(=CC(=O)NC1=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1C(=CC(=O)NC1=O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H5NO4/c8-4-1-3(6(10)11)2-5(9)7-4/h1H,2H2,(H,10,11)(H,7,8,9) |
| InChIKey | InChI | 1.03 | RELAYXOQOWYDAT-UHFFFAOYSA-N |
