4NC
Summary
| Name: | 4-NITROCATECHOL |
| Formula: | C6 H5 N O4 |
| Formal charge: | 0 |
| Formula weight: | 155.108 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-nitrobenzene-1,2-diol |
| OpenEye OEToolkits | 1.5.0 | 4-nitrobenzene-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)c1cc(O)c(O)cc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc(cc1O)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | Oc1ccc(cc1O)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1[N+](=O)[O-])O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1[N+](=O)[O-])O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H |
| InChIKey | InChI | 1.03 | XJNPNXSISMKQEX-UHFFFAOYSA-N |
