A1ENK
Summary
| Name: | methyl 3-chloranyl-6-oxidanylidene-1~{H}-pyridazine-5-carboxylate |
| Formula: | C6 H5 Cl N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 188.568 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl 3-chloranyl-6-oxidanylidene-1~{H}-pyridazine-5-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H5ClN2O3/c1-12-6(11)3-2-4(7)8-9-5(3)10/h2H,1H3,(H,9,10) |
| InChIKey | InChI | 1.06 | WHXBMYDYRJIIMD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)C1=CC(=NNC1=O)Cl |
| SMILES | CACTVS | 3.385 | COC(=O)C1=CC(=NNC1=O)Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)C1=CC(=NNC1=O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)C1=CC(=NNC1=O)Cl |
