XX2
Summary
| Name: | 1-KETO,2-HYDROXY,4-NITROBENZENE, 1 ELECTRON OXIDIZED |
| Formula: | C6 H4 N O4 |
| Formal charge: | 0 |
| Formula weight: | 154.1 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (6R)-6-hydroxy-4-nitrocyclohexa-2,4-dien-1-one |
| OpenEye OEToolkits | 2.0.7 | 4-nitro-6-oxidanyl-cyclohexa-2,4-dien-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=[N+]([O-])C1=CC(O)C(=O)C=C1 |
| InChI | InChI | 1.06 | InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,6,9H/t6-/m1/s1 |
| InChIKey | InChI | 1.06 | KJBVYJMPBKCQJZ-ZCFIWIBFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C]1C=C(C=CC1=O)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | O[C]1C=C(C=CC1=O)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=CC(=O)[C](C=C1[N+](=O)[O-])O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=CC(=O)[C](C=C1[N+](=O)[O-])O |
