RIX
Summary
| Name: | methyl 2-(4-chloranylindol-1-yl)-2-oxidanylidene-ethanoate |
| Formula: | C11 H8 Cl N O3 |
| Formal charge: | 0 |
| Formula weight: | 237.639 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | methyl 2-(4-chloranylindol-1-yl)-2-oxidanylidene-ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H8ClNO3/c1-16-11(15)10(14)13-6-5-7-8(12)3-2-4-9(7)13/h2-6H,1H3 |
| InChIKey | InChI | 1.06 | QRAIXQAFCRLHNQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)C(=O)n1ccc2c(Cl)cccc12 |
| SMILES | CACTVS | 3.385 | COC(=O)C(=O)n1ccc2c(Cl)cccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COC(=O)C(=O)n1ccc2c1cccc2Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COC(=O)C(=O)n1ccc2c1cccc2Cl |
