X0H
Summary
| Name: | methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate |
| Formula: | C12 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 217.221 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H11NO3/c1-16-12(15)7-8-6-11(14)13-10-5-3-2-4-9(8)10/h2-6H,7H2,1H3,(H,13,14) |
| InChIKey | InChI | 1.06 | KLDVSXHBYSMHNT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)CC1=CC(=O)Nc2ccccc12 |
| SMILES | CACTVS | 3.385 | COC(=O)CC1=CC(=O)Nc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)CC1=CC(=O)Nc2c1cccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)CC1=CC(=O)Nc2c1cccc2 |
