Basic information
- Standard SMILES
COC(=O)c1ccc(COc2cc(C)c(C)cc2[N+](=O)[O-])c(C)c1- InChIKey
AOKCRDODZVJVAF-UHFFFAOYSA-N- Molecular formula
- C18H19NO5
- Average molar mass
- 329.3 g/mol
Names & identifiers
- Preferred name
- 4-(2-nitro-4,5-dimethylphenoxymethyl)-3-methylbenzoic Acid Methyl Ester
- IUPAC
- methyl 4-[(4,5-dimethyl-2-nitrophenoxy)methyl]-3-methylbenzoate
Names & synonyms
SCHEMBL214559AOKCRDODZVJVAF-UHFFFAOYSA-N4-(2-nitro-4,5-dimethylphenoxymethyl)-3-methylbenzoic Acid Methyl Ester
Database identifiers
- PubChem CID
- 58891908
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 449
Related reactions
10 records
Compound notes
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