TQL
Summary
| Name: | 4-[(E)-N-oxidanyl-C-pyridin-3-yl-carbonimidoyl]benzene-1,3-diol |
| Formula: | C12 H10 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 230.219 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 4-[(E)-N-oxidanyl-C-pyridin-3-yl-carbonimidoyl]benzene-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H10N2O3/c15-9-3-4-10(11(16)6-9)12(14-17)8-2-1-5-13-7-8/h1-7,15-17H/b14-12+ |
| InChIKey | InChI | 1.03 | HZURBZXRYDMRDT-WYMLVPIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O\N=C(/c1cccnc1)c2ccc(O)cc2O |
| SMILES | CACTVS | 3.385 | ON=C(c1cccnc1)c2ccc(O)cc2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cnc1)/C(=N\O)/c2ccc(cc2O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cnc1)C(=NO)c2ccc(cc2O)O |
