LZV
Summary
| Name: | ethyl (6~{R})-3-oxidanylidenespiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate |
| Formula: | C13 H20 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 252.309 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ethyl (6~{R})-3-oxidanylidenespiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H20N2O3/c1-2-18-12(17)10-9-14-11(16)5-8-15(14)13(10)6-3-4-7-13/h10H,2-9H2,1H3/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | XBCGOHFXMUKNAT-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)[C@@H]1CN2N(CCC2=O)C13CCCC3 |
| SMILES | CACTVS | 3.385 | CCOC(=O)[CH]1CN2N(CCC2=O)C13CCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOC(=O)[C@@H]1CN2C(=O)CCN2C13CCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCOC(=O)C1CN2C(=O)CCN2C13CCCC3 |
