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-] |