4P9
Summary
| Name: | 4-{(E)-[2-(4-chlorophenyl)hydrazinylidene]methyl}benzene-1,2,3-triol |
| Formula: | C13 H11 Cl N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 278.691 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-{(E)-[2-(4-chlorophenyl)hydrazinylidene]methyl}benzene-1,2,3-triol |
| OpenEye OEToolkits | 1.9.2 | 4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,2,3-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc(Cl)ccc1NN=[C@H]c2c(c(c(cc2)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H11ClN2O3/c14-9-2-4-10(5-3-9)16-15-7-8-1-6-11(17)13(19)12(8)18/h1-7,16-19H/b15-7+ |
| InChIKey | InChI | 1.03 | RTAUGTZBLILHLD-VIZOYTHASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(\C=N\Nc2ccc(Cl)cc2)c(O)c1O |
| SMILES | CACTVS | 3.385 | Oc1ccc(C=NNc2ccc(Cl)cc2)c(O)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1N/N=C/c2ccc(c(c2O)O)O)Cl |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1NN=Cc2ccc(c(c2O)O)O)Cl |
