MWN
Summary
| Name: | methyl (3R)-5-bromo-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-7-carboxylate |
| Formula: | C10 H8 Br N O4 |
| Formal charge: | 0 |
| Formula weight: | 286.079 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl (3R)-5-bromo-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-7-carboxylate |
| OpenEye OEToolkits | 2.0.7 | methyl (3~{R})-5-bromanyl-3-oxidanyl-2-oxidanylidene-1,3-dihydroindole-7-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC)c1cc(Br)cc2c1NC(=O)C2O |
| InChI | InChI | 1.06 | InChI=1S/C10H8BrNO4/c1-16-10(15)6-3-4(11)2-5-7(6)12-9(14)8(5)13/h2-3,8,13H,1H3,(H,12,14)/t8-/m1/s1 |
| InChIKey | InChI | 1.06 | CLECANRFNXEJLT-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1cc(Br)cc2[C@@H](O)C(=O)Nc12 |
| SMILES | CACTVS | 3.385 | COC(=O)c1cc(Br)cc2[CH](O)C(=O)Nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)c1cc(cc2c1NC(=O)[C@@H]2O)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)c1cc(cc2c1NC(=O)C2O)Br |
