IBR
Summary
| Name: | (2-BROMOETHYL)(2-'FORMYL-4'-AMINOPHENYL) ACETATE |
| Formula: | C11 H12 Br N O3 |
| Formal charge: | 0 |
| Formula weight: | 286.122 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-bromoethyl (4-amino-2-formylphenyl)acetate |
| OpenEye OEToolkits | 1.5.0 | 2-bromoethyl 2-(4-amino-2-methanoyl-phenyl)ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | BrCCOC(=O)Cc1c(cc(N)cc1)C=O |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1ccc(CC(=O)OCCBr)c(C=O)c1 |
| SMILES | CACTVS | 3.341 | Nc1ccc(CC(=O)OCCBr)c(C=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1N)C=O)CC(=O)OCCBr |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1N)C=O)CC(=O)OCCBr |
| InChI | InChI | 1.03 | InChI=1S/C11H12BrNO3/c12-3-4-16-11(15)6-8-1-2-10(13)5-9(8)7-14/h1-2,5,7H,3-4,6,13H2 |
| InChIKey | InChI | 1.03 | SMKXVWWBCFWRMP-UHFFFAOYSA-N |
