4NI
Summary
| Name: | 4-nitrobutanoic acid |
| Formula: | C4 H7 N O4 |
| Formal charge: | 0 |
| Formula weight: | 133.103 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-nitrobutanoic acid |
| OpenEye OEToolkits | 1.5.0 | 4-nitrobutanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)CCCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CCC[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | OC(=O)CCC[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CC(=O)O)C[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CC(=O)O)C[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C4H7NO4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7) |
| InChIKey | InChI | 1.03 | SUFKNMKUIYHURJ-UHFFFAOYSA-N |
