PZB
Summary
| Name: | 4-(4-phenoxy-1H-pyrazol-3-yl)benzene-1,3-diol |
| Formula: | C15 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 268.267 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(4-phenoxy-1H-pyrazol-3-yl)benzene-1,3-diol |
| OpenEye OEToolkits | 1.7.6 | 4-(4-phenoxy-1H-pyrazol-3-yl)benzene-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc3cc(O)c(c2nncc2Oc1ccccc1)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C15H12N2O3/c18-10-6-7-12(13(19)8-10)15-14(9-16-17-15)20-11-4-2-1-3-5-11/h1-9,18-19H,(H,16,17) |
| InChIKey | InChI | 1.03 | WUNNLMRNOJZGQB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1ccc(c(O)c1)c2n[nH]cc2Oc3ccccc3 |
| SMILES | CACTVS | 3.370 | Oc1ccc(c(O)c1)c2n[nH]cc2Oc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)Oc2c[nH]nc2c3ccc(cc3O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)Oc2c[nH]nc2c3ccc(cc3O)O |
