| PDB CCD ID: | 8YW |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H14 N2 O6 |
| InChI: | InChI=1S/C16H14N2O6/c19-13(10-1-4-12(5-2-10)18(21)22)8-17-16(20)11-3-6-14-15(7-11)24-9-23-14/h1-7,13,19H,8-9H2,(H,17,20)/t13-/m0/s1 |
| InChIKey: | GNQZCOZNCNCXMO-ZDUSSCGKSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | O[C@@H](CNC(=O)c1ccc2OCOc2c1)c3ccc(cc3)[N+]([O-])=O | | OpenEye OEToolkits 2.0.6 | c1cc(ccc1C(CNC(=O)c2ccc3c(c2)OCO3)O)[N+](=O)[O-] | | CACTVS 3.385 | O[CH](CNC(=O)c1ccc2OCOc2c1)c3ccc(cc3)[N+]([O-])=O | | OpenEye OEToolkits 2.0.6 | c1cc(ccc1[C@H](CNC(=O)c2ccc3c(c2)OCO3)O)[N+](=O)[O-] |
|
| Name: | ~{N}-[(2~{R})-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-1,3-benzodioxole-5-carboxamide |
| ZINC: | ZINC000009689958 |
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