3QU
Summary
| Name: | 4-(4-nitrobenzyl)pyridine |
| Formula: | C12 H10 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 214.22 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(4-nitrobenzyl)pyridine |
| OpenEye OEToolkits | 1.7.0 | 4-[(4-nitrophenyl)methyl]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)c1ccc(cc1)Cc2ccncc2 |
| SMILES_CANONICAL | CACTVS | 3.370 | [O-][N+](=O)c1ccc(Cc2ccncc2)cc1 |
| SMILES | CACTVS | 3.370 | [O-][N+](=O)c1ccc(Cc2ccncc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1Cc2ccncc2)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1Cc2ccncc2)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C12H10N2O2/c15-14(16)12-3-1-10(2-4-12)9-11-5-7-13-8-6-11/h1-8H,9H2 |
| InChIKey | InChI | 1.03 | MNHKUCBXXMFQDM-UHFFFAOYSA-N |
