6RP
Summary
| Name: | bis(pyrzol-1-yl)acetate scorpionate |
| Synonyms: | BPZ |
| Formula: | C8 H8 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 192.175 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 2,2-di(pyrazol-1-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H8N4O2/c13-8(14)7(11-5-1-3-9-11)12-6-2-4-10-12/h1-7H,(H,13,14) |
| InChIKey | InChI | 1.03 | NJDSSVBTTVUKHM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C(n1cccn1)n2cccn2 |
| SMILES | CACTVS | 3.385 | OC(=O)C(n1cccn1)n2cccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cnn(c1)C(C(=O)O)n2cccn2 |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1cnn(c1)C(C(=O)O)n2cccn2 |
