NCR
Summary
| Name: | 2-NITRO-P-CRESOL |
| Formula: | C7 H7 N O3 |
| Formal charge: | 0 |
| Formula weight: | 153.135 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-methyl-2-nitrophenol |
| OpenEye OEToolkits | 1.5.0 | 4-methyl-2-nitro-phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=[N+]([O-])c1cc(ccc1O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccc(O)c(c1)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | Cc1ccc(O)c(c1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc(c(c1)[N+](=O)[O-])O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc(c(c1)[N+](=O)[O-])O |
| InChI | InChI | 1.03 | InChI=1S/C7H7NO3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3 |
| InChIKey | InChI | 1.03 | SYDNSSSQVSOXTN-UHFFFAOYSA-N |
