DZI
Summary
| Name: | 3,4,5-tris(oxidanyl)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide |
| Synonyms: | N-(2-pyrrolidyl)-3,4,5-trihydroxybenzoylhydrazone |
| Formula: | C12 H11 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 261.233 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3,4,5-tris(oxidanyl)-~{N}-[(~{E})-1~{H}-pyrrol-2-ylmethylideneamino]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H11N3O4/c16-9-4-7(5-10(17)11(9)18)12(19)15-14-6-8-2-1-3-13-8/h1-6,13,16-18H,(H,15,19)/b14-6+ |
| InChIKey | InChI | 1.06 | RPKVALFTHLQJDU-MKMNVTDBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(cc(O)c1O)C(=O)N\N=C\c2[nH]ccc2 |
| SMILES | CACTVS | 3.385 | Oc1cc(cc(O)c1O)C(=O)NN=Cc2[nH]ccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc([nH]c1)/C=N/NC(=O)c2cc(c(c(c2)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc([nH]c1)C=NNC(=O)c2cc(c(c(c2)O)O)O |
