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 |