ODO
Summary
| Name: | 4-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]benzene-1,3-diol |
| Formula: | C8 H9 N O3 |
| Formal charge: | 0 |
| Formula weight: | 167.162 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[(1E)-N-hydroxyethanimidoyl]benzene-1,3-diol |
| OpenEye OEToolkits | 1.9.2 | 4-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]benzene-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(/O)=C(\c1ccc(O)cc1O)C |
| InChI | InChI | 1.03 | InChI=1S/C8H9NO3/c1-5(9-12)7-3-2-6(10)4-8(7)11/h2-4,10-12H,1H3/b9-5+ |
| InChIKey | InChI | 1.03 | FQPRUMXSHZSJGM-WEVVVXLNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C\C(=N/O)c1ccc(O)cc1O |
| SMILES | CACTVS | 3.385 | CC(=NO)c1ccc(O)cc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C/C(=N\O)/c1ccc(cc1O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=NO)c1ccc(cc1O)O |
