JT6
Summary
| Name: | 3-[(4'-cyanobiphenyl-4-yl)oxy]-N-hydroxypropanamide |
| Formula: | C16 H14 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 282.294 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-[(4'-cyanobiphenyl-4-yl)oxy]-N-hydroxypropanamide |
| OpenEye OEToolkits | 1.5.0 | 3-[4-(4-cyanophenyl)phenoxy]-N-hydroxy-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N#Cc2ccc(c1ccc(OCCC(=O)NO)cc1)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | ONC(=O)CCOc1ccc(cc1)c2ccc(cc2)C#N |
| SMILES | CACTVS | 3.341 | ONC(=O)CCOc1ccc(cc1)c2ccc(cc2)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C#N)c2ccc(cc2)OCCC(=O)NO |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C#N)c2ccc(cc2)OCCC(=O)NO |
| InChI | InChI | 1.03 | InChI=1S/C16H14N2O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)21-10-9-16(19)18-20/h1-8,20H,9-10H2,(H,18,19) |
| InChIKey | InChI | 1.03 | XZWFHJUEAVOHHG-UHFFFAOYSA-N |
