1SF
Summary
| Name: | 1-(3-nitrophenyl)dihydropyrimidine-2,4(1H,3H)-dione |
| Formula: | C10 H9 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 235.196 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(3-nitrophenyl)dihydropyrimidine-2,4(1H,3H)-dione |
| OpenEye OEToolkits | 1.7.6 | 1-(3-nitrophenyl)-1,3-diazinane-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)c1cc(ccc1)N2C(=O)NC(=O)CC2 |
| InChI | InChI | 1.03 | InChI=1S/C10H9N3O4/c14-9-4-5-12(10(15)11-9)7-2-1-3-8(6-7)13(16)17/h1-3,6H,4-5H2,(H,11,14,15) |
| InChIKey | InChI | 1.03 | GMUGBPYYXAGNCT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | [O-][N+](=O)c1cccc(c1)N2CCC(=O)NC2=O |
| SMILES | CACTVS | 3.370 | [O-][N+](=O)c1cccc(c1)N2CCC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)[N+](=O)[O-])N2CCC(=O)NC2=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)[N+](=O)[O-])N2CCC(=O)NC2=O |
