5OJ
Summary
| Name: | 4-[2-[2-hydroxyethyl(phenyl)amino]-2-oxidanylidene-ethyl]-~{N}-oxidanyl-benzamide |
| Synonyms: | HPOB |
| Formula: | C17 H18 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 314.336 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 4-[2-[2-hydroxyethyl(phenyl)amino]-2-oxidanylidene-ethyl]-~{N}-oxidanyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H18N2O4/c20-11-10-19(15-4-2-1-3-5-15)16(21)12-13-6-8-14(9-7-13)17(22)18-23/h1-9,20,23H,10-12H2,(H,18,22) |
| InChIKey | InChI | 1.03 | RFAZNTABYJYOAR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCN(C(=O)Cc1ccc(cc1)C(=O)NO)c2ccccc2 |
| SMILES | CACTVS | 3.385 | OCCN(C(=O)Cc1ccc(cc1)C(=O)NO)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)N(CCO)C(=O)Cc2ccc(cc2)C(=O)NO |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)N(CCO)C(=O)Cc2ccc(cc2)C(=O)NO |
