5NU
Summary
| Name: | 5-nitrouracil |
| Formula: | C4 H3 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 157.084 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-nitropyrimidine-2,4(1H,3H)-dione |
| OpenEye OEToolkits | 1.7.6 | 5-nitro-1H-pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C([N+]([O-])=O)=CNC(=O)N1 |
| InChI | InChI | 1.03 | InChI=1S/C4H3N3O4/c8-3-2(7(10)11)1-5-4(9)6-3/h1H,(H2,5,6,8,9) |
| InChIKey | InChI | 1.03 | TUARVSWVPPVUGS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | [O-][N+](=O)C1=CNC(=O)NC1=O |
| SMILES | CACTVS | 3.370 | [O-][N+](=O)C1=CNC(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1=C(C(=O)NC(=O)N1)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1=C(C(=O)NC(=O)N1)[N+](=O)[O-] |
