5OF
Summary
| Name: | 2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanoic acid |
| Formula: | C10 H8 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 204.182 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H8N2O3/c13-9(14)5-8-6-3-1-2-4-7(6)10(15)12-11-8/h1-4H,5H2,(H,12,15)(H,13,14) |
| InChIKey | InChI | 1.03 | ZEDQLIHBPGNGEC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CC1=NNC(=O)c2ccccc12 |
| SMILES | CACTVS | 3.385 | OC(=O)CC1=NNC(=O)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc2c(c1)C(=NNC2=O)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc2c(c1)C(=NNC2=O)CC(=O)O |
