VY2
Summary
| Name: | ethyl (3-methylanilino)(oxo)acetate |
| Formula: | C11 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 207.226 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl (3-methylanilino)(oxo)acetate |
| OpenEye OEToolkits | 2.0.7 | ethyl 2-[(3-methylphenyl)amino]-2-oxidanylidene-ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cc(C)ccc1)C(=O)OCC |
| InChI | InChI | 1.06 | InChI=1S/C11H13NO3/c1-3-15-11(14)10(13)12-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H,12,13) |
| InChIKey | InChI | 1.06 | QXPRZYLYGVIPFZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)C(=O)Nc1cccc(C)c1 |
| SMILES | CACTVS | 3.385 | CCOC(=O)C(=O)Nc1cccc(C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)C(=O)Nc1cccc(c1)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)C(=O)Nc1cccc(c1)C |
