6VP
Summary
| Name: | 5-nitro-2-oxidanyl-benzenecarbonitrile |
| Synonyms: | 2-hydroxy-5-nitrobenzonitrile |
| Formula: | C7 H4 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 164.118 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 5-nitro-2-oxidanyl-benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H4N2O3/c8-4-5-3-6(9(11)12)1-2-7(5)10/h1-3,10H |
| InChIKey | InChI | 1.03 | MPQNPFJBRPRBFF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1C#N)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | Oc1ccc(cc1C#N)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc(c(cc1[N+](=O)[O-])C#N)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1cc(c(cc1[N+](=O)[O-])C#N)O |
