EJZ
Summary
| Name: | 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
| Synonyms: | 5 Nitroorotic Acid |
| Formula: | C5 H3 N3 O6 |
| Formal charge: | 0 |
| Formula weight: | 201.094 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
| OpenEye OEToolkits | 1.7.0 | 5-nitro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NC(C(=O)O)=C(C(=O)N1)[N+]([O-])=O |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)C1=C(C(=O)NC(=O)N1)[N+]([O-])=O |
| SMILES | CACTVS | 3.370 | OC(=O)C1=C(C(=O)NC(=O)N1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C1(=C(NC(=O)NC1=O)C(=O)O)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1(=C(NC(=O)NC1=O)C(=O)O)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C5H3N3O6/c9-3-2(8(13)14)1(4(10)11)6-5(12)7-3/h(H,10,11)(H2,6,7,9,12) |
| InChIKey | InChI | 1.03 | OPGJGRWULGFTOS-UHFFFAOYSA-N |
