TZW
Summary
| Name: | 3-(4-hydroxypiperidin-1-yl)-4-nitrobenzaldehyde |
| Formula: | C12 H14 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 250.251 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3-(4-hydroxypiperidin-1-yl)-4-nitrobenzaldehyde |
| OpenEye OEToolkits | 3.1.0.0 | 4-nitro-3-(4-oxidanylpiperidin-1-yl)benzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | [O-][N+](=O)c1ccc(C=O)cc1N1CCC(O)CC1 |
| InChI | InChI | 1.06 | InChI=1S/C12H14N2O4/c15-8-9-1-2-11(14(17)18)12(7-9)13-5-3-10(16)4-6-13/h1-2,7-8,10,16H,3-6H2 |
| InChIKey | InChI | 1.06 | MKCPAHAEDUQJJN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC1CCN(CC1)c2cc(C=O)ccc2[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | OC1CCN(CC1)c2cc(C=O)ccc2[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1C=O)N2CCC(CC2)O)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1C=O)N2CCC(CC2)O)[N+](=O)[O-] |
