| PDB CCD ID: | GXM |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C10 H7 N O6 |
| InChI: | InChI=1S/C10H7NO6/c12-8(5-9(13)10(14)15)6-3-1-2-4-7(6)11(16)17/h1-5,13H,(H,14,15)/b9-5- |
| InChIKey: | APXXDBVLXHIFHL-UITAMQMPSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | c1(ccccc1C([C@H]=C(C(O)=O)O)=O)[N+]([O-])=O | | CACTVS 3.385 | OC(=O)C(O)=CC(=O)c1ccccc1[N+]([O-])=O | | OpenEye OEToolkits 2.0.6 | c1ccc(c(c1)C(=O)C=C(C(=O)O)O)[N+](=O)[O-] | | OpenEye OEToolkits 2.0.6 | c1ccc(c(c1)C(=O)/C=C(/C(=O)O)\O)[N+](=O)[O-] | | CACTVS 3.385 | OC(=O)\C(O)=C\C(=O)c1ccccc1[N+]([O-])=O |
|
| Name: | (2Z)-2-hydroxy-4-(2-nitrophenyl)-4-oxobut-2-enoic acid |
| ChEMBL: | CHEMBL1829212 |
| ZINC: | ZINC000101981294 |
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