NIN
Summary
| Name: | DINITROPHENYLENE |
| Formula: | C6 H4 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 168.107 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,3-dinitrobenzene |
| OpenEye OEToolkits | 1.7.6 | 1,3-dinitrobenzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=[N+]([O-])c1cccc([N+]([O-])=O)c1 |
| InChI | InChI | 1.03 | InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H |
| InChIKey | InChI | 1.03 | WDCYWAQPCXBPJA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | [O-][N+](=O)c1cccc(c1)[N+]([O-])=O |
| SMILES | CACTVS | 3.370 | [O-][N+](=O)c1cccc(c1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-] |
