XXH
Summary
| Name: | 4-nitrobenzaldehyde |
| Formula: | C7 H5 N O3 |
| Formal charge: | 0 |
| Formula weight: | 151.119 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-nitrobenzaldehyde |
| OpenEye OEToolkits | 1.7.6 | 4-nitrobenzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=[N+]([O-])c1ccc(C=O)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C7H5NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H |
| InChIKey | InChI | 1.03 | BXRFQSNOROATLV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | [O-][N+](=O)c1ccc(C=O)cc1 |
| SMILES | CACTVS | 3.370 | [O-][N+](=O)c1ccc(C=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C=O)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C=O)[N+](=O)[O-] |
