H4E
Summary
| Name: | ethyl 4-azanyl-3-bromanyl-benzoate |
| Formula: | C9 H10 Br N O2 |
| Formal charge: | 0 |
| Formula weight: | 244.085 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ethyl 4-azanyl-3-bromanyl-benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H10BrNO2/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5H,2,11H2,1H3 |
| InChIKey | InChI | 1.03 | NOGUJGZZMMKQOZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1ccc(N)c(Br)c1 |
| SMILES | CACTVS | 3.385 | CCOC(=O)c1ccc(N)c(Br)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOC(=O)c1ccc(c(c1)Br)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCOC(=O)c1ccc(c(c1)Br)N |
