PWW
Summary
| Name: | 4-[[(~{E})-5-oxidanylidenepentanoyldiazenyl]methyl]benzoic acid |
| Formula: | C13 H14 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 262.261 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(~{E})-(5-oxidanylidenepentanoylhydrazinylidene)methyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H14N2O4/c16-8-2-1-3-12(17)15-14-9-10-4-6-11(7-5-10)13(18)19/h4-9H,1-3H2,(H,15,17)(H,18,19)/b14-9+ |
| InChIKey | InChI | 1.03 | UZWVZLUSNSIXTA-NTEUORMPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(cc1)/C=N/NC(=O)CCCC=O |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(cc1)C=NNC(=O)CCCC=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1/C=N/NC(=O)CCCC=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=NNC(=O)CCCC=O)C(=O)O |
