TWL
Summary
| Name: | ETHYL (5R)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-5-CARBOXYLATE |
| Formula: | C10 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 194.23 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | ethyl (5R)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H14N2O2/c1-2-14-10(13)7-3-4-9-8(5-7)6-11-12-9/h6-7H,2-5H2,1H3,(H,11,12)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | OYSSLPZFSXHQEY-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)[C@@H]1CCc2[nH]ncc2C1 |
| SMILES | CACTVS | 3.385 | CCOC(=O)[CH]1CCc2[nH]ncc2C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCOC(=O)[C@@H]1CCc2c(cn[nH]2)C1 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCOC(=O)C1CCc2c(cn[nH]2)C1 |
