E7Z
Summary
| Name: | 1-methyl-5-oxidanyl-4-oxidanylidene-pyridine-2-carboxylic acid |
| Formula: | C7 H7 N O4 |
| Formal charge: | 0 |
| Formula weight: | 169.135 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-methyl-5-oxidanyl-4-oxidanylidene-pyridine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H7NO4/c1-8-3-6(10)5(9)2-4(8)7(11)12/h2-3,10H,1H3,(H,11,12) |
| InChIKey | InChI | 1.03 | XWHROGRDGWNCHV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C=C(O)C(=O)C=C1C(O)=O |
| SMILES | CACTVS | 3.385 | CN1C=C(O)C(=O)C=C1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1C=C(C(=O)C=C1C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1C=C(C(=O)C=C1C(=O)O)O |
