R29
Summary
| Name: | 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(phenylmethyl)urea |
| Formula: | C15 H16 B N2 O4 |
| Formal charge: | -1 |
| Formula weight: | 299.11 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(phenylmethyl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H16BN2O4/c19-15(17-9-11-4-2-1-3-5-11)18-13-7-6-12-10-22-16(20,21)14(12)8-13/h1-8,20-21H,9-10H2,(H2,17,18,19)/q-1 |
| InChIKey | InChI | 1.03 | OZPLHZMPGOIEJW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[B-]1(O)OCc2ccc(NC(=O)NCc3ccccc3)cc12 |
| SMILES | CACTVS | 3.385 | O[B-]1(O)OCc2ccc(NC(=O)NCc3ccccc3)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [B-]1(c2cc(ccc2CO1)NC(=O)NCc3ccccc3)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | [B-]1(c2cc(ccc2CO1)NC(=O)NCc3ccccc3)(O)O |
