| PDB CCD ID: | OZR |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H16 N2 O8 |
| InChI: | InChI=1S/C14H16N2O8/c17-9-5-7(16(22)23)4-8(12(9)19)14(21)15-3-1-2-11-13(20)10(18)6-24-11/h1-2,4-5,10-11,13,17-20H,3,6H2,(H,15,21)/b2-1+/t10-,11+,13-/m0/s1 |
| InChIKey: | VDHNUEGZSFACAM-CNBGNIIQSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | O[CH]1CO[CH](C=CCNC(=O)c2cc(cc(O)c2O)[N+]([O-])=O)[CH]1O | | OpenEye OEToolkits 1.7.0 | c1c(cc(c(c1C(=O)NCC=CC2C(C(CO2)O)O)O)O)[N+](=O)[O-] | | OpenEye OEToolkits 1.7.0 | c1c(cc(c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H](CO2)O)O)O)O)[N+](=O)[O-] | | ACDLabs 12.01 | [O-][N+](=O)c1cc(c(O)c(O)c1)C(=O)NC/C=C/C2OCC(O)C2O | | CACTVS 3.370 | O[C@H]1CO[C@H](\C=C\CNC(=O)c2cc(cc(O)c2O)[N+]([O-])=O)[C@H]1O |
|
| Name: | N-[(E)-3-[(2R,3S,4S)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide |
| ZINC: | ZINC000064746637 |
