IM4
Summary
| Name: | (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine |
| Synonyms: | imidacloprid |
| Formula: | C9 H10 Cl N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 255.661 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine |
| OpenEye OEToolkits | 1.5.0 | (NE)-N-[1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-ylidene]nitramide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)/N=C1\NCCN1Cc2cnc(Cl)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | [O-][N+](=O)\N=C\1NCCN\1Cc2ccc(Cl)nc2 |
| SMILES | CACTVS | 3.341 | [O-][N+](=O)N=C1NCCN1Cc2ccc(Cl)nc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ncc1CN\2CCN/C2=N\[N+](=O)[O-])Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ncc1CN2CCNC2=N[N+](=O)[O-])Cl |
| InChI | InChI | 1.03 | InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13) |
| InChIKey | InChI | 1.03 | YWTYJOPNNQFBPC-UHFFFAOYSA-N |
