38L
Summary
| Name: | 2-nitrobenzene-1,3-diol |
| Formula: | C6 H5 N O4 |
| Formal charge: | 0 |
| Formula weight: | 155.108 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-nitrobenzene-1,3-diol |
| OpenEye OEToolkits | 1.7.6 | 2-nitrobenzene-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=[N+]([O-])c1c(O)cccc1O |
| InChI | InChI | 1.03 | InChI=1S/C6H5NO4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H |
| InChIKey | InChI | 1.03 | ZLCPKMIJYMHZMJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc(O)c1[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | Oc1cccc(O)c1[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(c(c1)O)[N+](=O)[O-])O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(c(c1)O)[N+](=O)[O-])O |
