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 |