V2E
Summary
| Name: | 3-morpholin-4-yl-4-nitro-benzaldehyde |
| Formula: | C11 H12 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 236.224 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-morpholin-4-yl-4-nitro-benzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H12N2O4/c14-8-9-1-2-10(13(15)16)11(7-9)12-3-5-17-6-4-12/h1-2,7-8H,3-6H2 |
| InChIKey | InChI | 1.03 | FAJSCBIMFMOQMQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-][N+](=O)c1ccc(C=O)cc1N2CCOCC2 |
| SMILES | CACTVS | 3.385 | [O-][N+](=O)c1ccc(C=O)cc1N2CCOCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C=O)N2CCOCC2)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C=O)N2CCOCC2)[N+](=O)[O-] |
