A1J91
Summary
| Name: | Diethyl toluene-2,4-dicarbamate |
| Synonyms: | ethyl ~{N}-[3-(ethoxycarbonylamino)-4-methyl-phenyl]carbamate |
| Formula: | C13 H18 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 266.293 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ethyl ~{N}-[3-(ethoxycarbonylamino)-4-methyl-phenyl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H18N2O4/c1-4-18-12(16)14-10-7-6-9(3)11(8-10)15-13(17)19-5-2/h6-8H,4-5H2,1-3H3,(H,14,16)(H,15,17) |
| InChIKey | InChI | 1.06 | PHYURWGMBQTCSY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)Nc1ccc(C)c(NC(=O)OCC)c1 |
| SMILES | CACTVS | 3.385 | CCOC(=O)Nc1ccc(C)c(NC(=O)OCC)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)Nc1ccc(c(c1)NC(=O)OCC)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)Nc1ccc(c(c1)NC(=O)OCC)C |
