WL4
Summary
| Name: | N-(3-cyanophenyl)-2-methylpropanamide |
| Formula: | C11 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 188.226 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(3-cyanophenyl)-2-methylpropanamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(3-cyanophenyl)-2-methyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccc(NC(C(C)C)=O)cc1C#N |
| InChI | InChI | 1.03 | InChI=1S/C11H12N2O/c1-8(2)11(14)13-10-5-3-4-9(6-10)7-12/h3-6,8H,1-2H3,(H,13,14) |
| InChIKey | InChI | 1.03 | JWBISRKEEZGPFB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C(=O)Nc1cccc(c1)C#N |
| SMILES | CACTVS | 3.385 | CC(C)C(=O)Nc1cccc(c1)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C(=O)Nc1cccc(c1)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C(=O)Nc1cccc(c1)C#N |
