A1AYX
Summary
| Name: | N-(3-chlorophenyl)-2-cyanoacetamide |
| Formula: | C9 H7 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 194.618 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(3-chlorophenyl)-2-cyanoacetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(3-chlorophenyl)-2-cyano-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(NC(=O)CC#N)ccc1 |
| InChI | InChI | 1.06 | InChI=1S/C9H7ClN2O/c10-7-2-1-3-8(6-7)12-9(13)4-5-11/h1-3,6H,4H2,(H,12,13) |
| InChIKey | InChI | 1.06 | JHGKLDZJAHYJIP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(NC(=O)CC#N)c1 |
| SMILES | CACTVS | 3.385 | Clc1cccc(NC(=O)CC#N)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)NC(=O)CC#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)NC(=O)CC#N |
