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 |