VC3
Summary
| Name: | 3-(4-nitrophenyl)-1H-pyrazole |
| Formula: | C9 H7 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 189.171 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(4-nitrophenyl)-1H-pyrazole |
| OpenEye OEToolkits | 1.5.0 | 3-(4-nitrophenyl)-1H-pyrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)c2ccc(c1nncc1)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | [O-][N+](=O)c1ccc(cc1)c2cc[nH]n2 |
| SMILES | CACTVS | 3.341 | [O-][N+](=O)c1ccc(cc1)c2cc[nH]n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2cc[nH]n2)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2cc[nH]n2)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C9H7N3O2/c13-12(14)8-3-1-7(2-4-8)9-5-6-10-11-9/h1-6H,(H,10,11) |
| InChIKey | InChI | 1.03 | IPIYADCDDIUVPS-UHFFFAOYSA-N |
