A1IJS
Summary
| Name: | methyl 2-[(5~{R})-6-methyl-7-oxidanylidene-5~{H}-pyrrolo[3,4-b]pyridin-5-yl]ethanoate |
| Formula: | C11 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 220.225 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl 2-[(5~{R})-6-methyl-7-oxidanylidene-5~{H}-pyrrolo[3,4-b]pyridin-5-yl]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H12N2O3/c1-13-8(6-9(14)16-2)7-4-3-5-12-10(7)11(13)15/h3-5,8H,6H2,1-2H3/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | SZYJEZKAKFJCOC-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)C[C@H]1N(C)C(=O)c2ncccc12 |
| SMILES | CACTVS | 3.385 | COC(=O)C[CH]1N(C)C(=O)c2ncccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1[C@@H](c2cccnc2C1=O)CC(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1C(c2cccnc2C1=O)CC(=O)OC |
