ZA3
Summary
Name: | TRIHYDROXY-[[(2-NITROPHENYL)CARBONYLAMINO]METHYL]BORON |
Formula: | C8 H10 B N2 O6 |
Formal charge: | -1 |
Formula weight: | 240.986 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 1.6.1 | trihydroxy-[[(2-nitrophenyl)carbonylamino]methyl]boron |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.352 | O[B-](O)(O)CNC(=O)c1ccccc1[N+]([O-])=O |
SMILES | CACTVS | 3.352 | O[B-](O)(O)CNC(=O)c1ccccc1[N+]([O-])=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | [B-](CNC(=O)c1ccccc1[N+](=O)[O-])(O)(O)O |
SMILES | OpenEye OEToolkits | 1.6.1 | [B-](CNC(=O)c1ccccc1[N+](=O)[O-])(O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C8H10BN2O6/c12-8(10-5-9(13,14)15)6-3-1-2-4-7(6)11(16)17/h1-4,13-15H,5H2,(H,10,12)/q-1 |
InChIKey | InChI | 1.03 | YKMUZZUWSQWVEH-UHFFFAOYSA-N |