2NB
Summary
| Name: | 3-nitroquinolin-4-amine |
| Formula: | C9 H7 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 189.171 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-nitroquinolin-4-amine |
| OpenEye OEToolkits | 1.7.6 | 3-nitroquinolin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)c1c(c2ccccc2nc1)N |
| InChI | InChI | 1.03 | InChI=1S/C9H7N3O2/c10-9-6-3-1-2-4-7(6)11-5-8(9)12(13)14/h1-5H,(H2,10,11) |
| InChIKey | InChI | 1.03 | SKPRPEJLFKCOAB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1c2ccccc2ncc1[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | Nc1c2ccccc2ncc1[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(c(cn2)[N+](=O)[O-])N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(c(cn2)[N+](=O)[O-])N |
