VSL
Summary
| Name: | methyl 4,5,6,7-tetrahydro-2H-indazole-3-carboxylate |
| Formula: | C9 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 180.204 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl 4,5,6,7-tetrahydro-2H-indazole-3-carboxylate |
| OpenEye OEToolkits | 2.0.7 | methyl 4,5,6,7-tetrahydro-2~{H}-indazole-3-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC)c1[NH]nc2CCCCc12 |
| InChI | InChI | 1.06 | InChI=1S/C9H12N2O2/c1-13-9(12)8-6-4-2-3-5-7(6)10-11-8/h2-5H2,1H3,(H,10,11) |
| InChIKey | InChI | 1.06 | FCGHXNFPSZTBIQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1[nH]nc2CCCCc12 |
| SMILES | CACTVS | 3.385 | COC(=O)c1[nH]nc2CCCCc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)c1c2c(n[nH]1)CCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)c1c2c(n[nH]1)CCCC2 |
