PQR
Summary
| Name: | 4-[methyl(nitroso)amino]benzene-1,2-diol |
| Synonyms: | Methyl-3,4-dephostatin |
| Formula: | C7 H8 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 168.15 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[methyl(nitroso)amino]benzene-1,2-diol |
| OpenEye OEToolkits | 1.7.6 | N-[3,4-bis(oxidanyl)phenyl]-N-methyl-nitrous amide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=NN(c1cc(O)c(O)cc1)C |
| InChI | InChI | 1.03 | InChI=1S/C7H8N2O3/c1-9(8-12)5-2-3-6(10)7(11)4-5/h2-4,10-11H,1H3 |
| InChIKey | InChI | 1.03 | XAKAQCMEMMZUEO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CN(N=O)c1ccc(O)c(O)c1 |
| SMILES | CACTVS | 3.370 | CN(N=O)c1ccc(O)c(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN(c1ccc(c(c1)O)O)N=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN(c1ccc(c(c1)O)O)N=O |
