V7U
Summary
| Name: | 2,4-dinitroaniline |
| Formula: | C6 H5 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 183.122 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2,4-dinitroaniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H5N3O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,7H2 |
| InChIKey | InChI | 1.06 | LXQOQPGNCGEELI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])N |
