L3S
Summary
Name: | 5-methyl-2-nitrophenol |
Formula: | C7 H7 N O3 |
Formal charge: | 0 |
Formula weight: | 153.135 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 5-methyl-2-nitrophenol |
OpenEye OEToolkits | 2.0.7 | 5-methyl-2-nitro-phenol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(cc(C)ccc1[N+](=O)[O-])O |
InChI | InChI | 1.03 | InChI=1S/C7H7NO3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3 |
InChIKey | InChI | 1.03 | NQXUSSVLFOBRSE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(c(O)c1)[N+]([O-])=O |
SMILES | CACTVS | 3.385 | Cc1ccc(c(O)c1)[N+]([O-])=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1)O)[N+](=O)[O-] |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1)O)[N+](=O)[O-] |