KKH
Summary
| Name: | 1-[1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-6-yl]-3-phenyl-urea |
| Formula: | C14 H14 B N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 285.083 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-6-yl]-3-phenyl-urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H14BN2O4/c18-14(16-11-4-2-1-3-5-11)17-12-7-6-10-9-21-15(19,20)13(10)8-12/h1-8,19-20H,9H2,(H2,16,17,18) |
| InChIKey | InChI | 1.03 | OKIGMHNAUDFPPL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[B]1(O)OCc2ccc(NC(=O)Nc3ccccc3)cc12 |
| SMILES | CACTVS | 3.385 | O[B]1(O)OCc2ccc(NC(=O)Nc3ccccc3)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B1(c2cc(ccc2CO1)NC(=O)Nc3ccccc3)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B1(c2cc(ccc2CO1)NC(=O)Nc3ccccc3)(O)O |
