VOB
Summary
| Name: | N,N-diethyl-2-(4-nitrophenoxy)ethan-1-amine |
| Formula: | C12 H18 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 238.283 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N,N-diethyl-2-(4-nitrophenoxy)ethan-1-amine |
| OpenEye OEToolkits | 3.1.0.0 | ~{N},~{N}-diethyl-2-(4-nitrophenoxy)ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | [O-][N+](=O)c1ccc(OCCN(CC)CC)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C12H18N2O3/c1-3-13(4-2)9-10-17-12-7-5-11(6-8-12)14(15)16/h5-8H,3-4,9-10H2,1-2H3 |
| InChIKey | InChI | 1.06 | ZLZZAXUKBHFTHA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)CCOc1ccc(cc1)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | CCN(CC)CCOc1ccc(cc1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCN(CC)CCOc1ccc(cc1)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCN(CC)CCOc1ccc(cc1)[N+](=O)[O-] |
