0XB
Summary
| Name: | N-(3-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine |
| Formula: | C12 H7 F N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 274.207 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(3-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine |
| OpenEye OEToolkits | 1.7.6 | N-(3-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1cccc(c1)Nc2ccc3nonc3c2[N+]([O-])=O |
| InChI | InChI | 1.03 | InChI=1S/C12H7FN4O3/c13-7-2-1-3-8(6-7)14-10-5-4-9-11(16-20-15-9)12(10)17(18)19/h1-6,14H |
| InChIKey | InChI | 1.03 | QMETXUTZEYHEJB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | [O-][N+](=O)c1c(Nc2cccc(F)c2)ccc3nonc13 |
| SMILES | CACTVS | 3.370 | [O-][N+](=O)c1c(Nc2cccc(F)c2)ccc3nonc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)F)Nc2ccc3c(c2[N+](=O)[O-])non3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)F)Nc2ccc3c(c2[N+](=O)[O-])non3 |
