5SJ
Summary
| Name: | ethyl (2~{R})-2-methyl-3-oxidanylidene-2,4-dihydro-1~{H}-quinoxaline-6-carboxylate |
| Formula: | C12 H14 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 234.251 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | ethyl (2~{R})-2-methyl-3-oxidanylidene-2,4-dihydro-1~{H}-quinoxaline-6-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H14N2O3/c1-3-17-12(16)8-4-5-9-10(6-8)14-11(15)7(2)13-9/h4-7,13H,3H2,1-2H3,(H,14,15)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | MLLYUWSDLZJMSV-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1ccc2N[C@H](C)C(=O)Nc2c1 |
| SMILES | CACTVS | 3.385 | CCOC(=O)c1ccc2N[CH](C)C(=O)Nc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCOC(=O)c1ccc2c(c1)NC(=O)[C@H](N2)C |
| SMILES | OpenEye OEToolkits | 2.0.4 | CCOC(=O)c1ccc2c(c1)NC(=O)C(N2)C |
