ISS
Summary
| Name: | (2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal |
| Formula: | C7 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 157.167 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal |
| OpenEye OEToolkits | 1.5.0 | (E)-3-[(4-hydroxy-2-oxo-butyl)amino]prop-2-enal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(CN/C=C/C=O)CCO |
| SMILES_CANONICAL | CACTVS | 3.341 | OCCC(=O)CN/C=C/C=O |
| SMILES | CACTVS | 3.341 | OCCC(=O)CNC=CC=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CO)C(=O)CN\C=C\C=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CO)C(=O)CNC=CC=O |
| InChI | InChI | 1.03 | InChI=1S/C7H11NO3/c9-4-1-3-8-6-7(11)2-5-10/h1,3-4,8,10H,2,5-6H2/b3-1+ |
| InChIKey | InChI | 1.03 | WWFGWBHKRFILGQ-HNQUOIGGSA-N |
