EAO
Summary
| Name: | 3-(3,4-dihydroxy-5-nitrobenzylidene)pentane-2,4-dione |
| Formula: | C12 H11 N O6 |
| Formal charge: | 0 |
| Formula weight: | 265.219 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[[3-nitro-4,5-bis(oxidanyl)phenyl]methylidene]pentane-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H11NO6/c1-6(14)9(7(2)15)3-8-4-10(13(18)19)12(17)11(16)5-8/h3-5,16-17H,1-2H3 |
| InChIKey | InChI | 1.03 | UPMRZALMHVUCIN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)C(=Cc1cc(O)c(O)c(c1)[N+]([O-])=O)C(C)=O |
| SMILES | CACTVS | 3.385 | CC(=O)C(=Cc1cc(O)c(O)c(c1)[N+]([O-])=O)C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)C(=Cc1cc(c(c(c1)O)O)[N+](=O)[O-])C(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)C(=Cc1cc(c(c(c1)O)O)[N+](=O)[O-])C(=O)C |
