A1LW0
Summary
| Name: | 2-methyl-1-nitro-3-[(tetrahydro-3-furanyl) methyl] guanidine |
| Synonyms: | dinotefuran |
| Formula: | C7 H14 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 202.211 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-methyl-2-nitro-3-[[(3~{S})-oxolan-3-yl]methyl]guanidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H14N4O3/c1-8-7(10-11(12)13)9-4-6-2-3-14-5-6/h6H,2-5H2,1H3,(H2,8,9,10)/t6-/m0/s1 |
| InChIKey | InChI | 1.06 | YKBZOVFACRVRJN-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN\C(NC[C@@H]1CCOC1)=N/[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | CNC(NC[CH]1CCOC1)=N[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN/C(=N\[N+](=O)[O-])/NC[C@@H]1CCOC1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=N[N+](=O)[O-])NCC1CCOC1 |
