7DP
Summary
| Name: | ~{N}-[2-[3,4-bis(oxidanyl)phenyl]ethyl]ethanamide |
| Synonyms: | N-acetyldopamine |
| Formula: | C10 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 195.215 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | ~{N}-[2-[3,4-bis(oxidanyl)phenyl]ethyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO3/c1-7(12)11-5-4-8-2-3-9(13)10(14)6-8/h2-3,6,13-14H,4-5H2,1H3,(H,11,12) |
| InChIKey | InChI | 1.03 | OFSAJYZMIPNPHE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCCc1ccc(O)c(O)c1 |
| SMILES | CACTVS | 3.385 | CC(=O)NCCc1ccc(O)c(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CC(=O)NCCc1ccc(c(c1)O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | CC(=O)NCCc1ccc(c(c1)O)O |
