PWQ
Summary
| Name: | 4-[[2-(4-oxidanylidenebutanoyl)hydrazinyl]methyl]benzoic acid |
| Formula: | C12 H12 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 248.235 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(~{E})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H12N2O4/c15-7-1-2-11(16)14-13-8-9-3-5-10(6-4-9)12(17)18/h3-8H,1-2H2,(H,14,16)(H,17,18)/b13-8+ |
| InChIKey | InChI | 1.03 | YBTAMVPSZKNTLP-MDWZMJQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(cc1)/C=N/NC(=O)CCC=O |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(cc1)C=NNC(=O)CCC=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1/C=N/NC(=O)CCC=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=NNC(=O)CCC=O)C(=O)O |
