| PDB CCD ID: | DGR |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C10 H9 N3 O4 |
| InChI: | InChI=1S/C10H9N3O4/c14-8(3-4-9(15)16)12-13-10(17)7-2-1-5-11-6-7/h1-6H,(H,12,14)(H,13,17)(H,15,16)/b4-3+ |
| InChIKey: | PMTJSWVYLYQGEU-ONEGZZNKSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | c1cc(cnc1)C(=O)NNC(=O)/C=C/C(=O)O | | CACTVS 3.385 | OC(=O)C=CC(=O)NNC(=O)c1cccnc1 | | OpenEye OEToolkits 1.7.6 | c1cc(cnc1)C(=O)NNC(=O)C=CC(=O)O | | CACTVS 3.385 | OC(=O)\C=C\C(=O)NNC(=O)c1cccnc1 | | ACDLabs 12.01 | O=C(NNC(=O)\C=C\C(=O)O)c1cccnc1 |
|
| Name: | (E)-4-(2-Nicotinoylhydrazinyl)-4-oxobut-2-enoic acid |
| ChEMBL: | CHEMBL5274121 |
| ZINC: | ZINC000001751688 |
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