3NT
Summary
| Name: | 3-NITROTOLUENE |
| Formula: | C7 H7 N O2 |
| Formal charge: | 0 |
| Formula weight: | 137.136 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-methyl-3-nitrobenzene |
| OpenEye OEToolkits | 1.5.0 | 1-methyl-3-nitro-benzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=[N+]([O-])c1cccc(c1)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1cccc(c1)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | Cc1cccc(c1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cccc(c1)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cccc(c1)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3 |
| InChIKey | InChI | 1.03 | QZYHIOPPLUPUJF-UHFFFAOYSA-N |
