6T7
Summary
| Name: | 3-(6-oxidanylidene-3-pyridin-3-yl-pyridazin-1-yl)propanoic acid |
| Formula: | C12 H11 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 245.234 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 3-(6-oxidanylidene-3-pyridin-3-yl-pyridazin-1-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H11N3O3/c16-11-4-3-10(9-2-1-6-13-8-9)14-15(11)7-5-12(17)18/h1-4,6,8H,5,7H2,(H,17,18) |
| InChIKey | InChI | 1.03 | FPHNPEYKDLCEEE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCN1N=C(C=CC1=O)c2cccnc2 |
| SMILES | CACTVS | 3.385 | OC(=O)CCN1N=C(C=CC1=O)c2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc(cnc1)C2=NN(C(=O)C=C2)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1cc(cnc1)C2=NN(C(=O)C=C2)CCC(=O)O |
