NIT
Summary
| Name: | 4-NITROANILINE |
| Synonyms: | PARANITROANILINE |
| Formula: | C6 H6 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 138.124 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-nitroaniline |
| OpenEye OEToolkits | 1.7.0 | 4-nitroaniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=[N+]([O-])c1ccc(N)cc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1ccc(cc1)[N+]([O-])=O |
| SMILES | CACTVS | 3.370 | Nc1ccc(cc1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1N)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1N)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2 |
| InChIKey | InChI | 1.03 | TYMLOMAKGOJONV-UHFFFAOYSA-N |
