OX4
Summary
| Name: | 3-FLUORO-4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME |
| Formula: | C14 H16 F N O3 |
| Formal charge: | 0 |
| Formula weight: | 265.28 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-fluoro-4-hydroxybenzaldehyde O-(cyclohexylcarbonyl)oxime |
| OpenEye OEToolkits | 1.5.0 | [(3-fluoro-4-hydroxy-phenyl)methylideneamino] cyclohexanecarboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O\N=C\c1ccc(O)c(F)c1)C2CCCCC2 |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc(\C=N\OC(=O)C2CCCCC2)cc1F |
| SMILES | CACTVS | 3.341 | Oc1ccc(C=NOC(=O)C2CCCCC2)cc1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1\C=N\OC(=O)C2CCCCC2)F)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1C=NOC(=O)C2CCCCC2)F)O |
| InChI | InChI | 1.03 | InChI=1S/C14H16FNO3/c15-12-8-10(6-7-13(12)17)9-16-19-14(18)11-4-2-1-3-5-11/h6-9,11,17H,1-5H2/b16-9+ |
| InChIKey | InChI | 1.03 | NPVNUGQNVVMJJP-CXUHLZMHSA-N |
