A1EG0
Summary
| Name: | 2-oxidanyl-7-(pyrazol-1-ylmethyl)-3~{H}-1,4,2-benzodioxaborinine-8-carboxylic acid |
| Formula: | C12 H11 B N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 274.037 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-oxidanyl-7-(pyrazol-1-ylmethyl)-3~{H}-1,4,2-benzodioxaborinine-8-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H11BN2O5/c16-12(17)10-8(6-15-5-1-4-14-15)2-3-9-11(10)20-13(18)7-19-9/h1-5,18H,6-7H2,(H,16,17) |
| InChIKey | InChI | 1.06 | VHKIDNUOLGPNSF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB1COc2ccc(Cn3cccn3)c(C(O)=O)c2O1 |
| SMILES | CACTVS | 3.385 | OB1COc2ccc(Cn3cccn3)c(C(O)=O)c2O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B1(COc2ccc(c(c2O1)C(=O)O)Cn3cccn3)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B1(COc2ccc(c(c2O1)C(=O)O)Cn3cccn3)O |
