ELN
Summary
Name: | ~{N}-(4-chlorophenyl)-2-cyano-ethanamide |
Formula: | C9 H7 Cl N2 O |
Formal charge: | 0 |
Formula weight: | 194.618 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | ~{N}-(4-chlorophenyl)-2-cyano-ethanamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C9H7ClN2O/c10-7-1-3-8(4-2-7)12-9(13)5-6-11/h1-4H,5H2,(H,12,13) |
InChIKey | InChI | 1.03 | FLLVVAHFEBGZKD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(NC(=O)CC#N)cc1 |
SMILES | CACTVS | 3.385 | Clc1ccc(NC(=O)CC#N)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1NC(=O)CC#N)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1NC(=O)CC#N)Cl |