Basic information
- Standard SMILES
COC(=O)C(=C1N(C)CCN1C(=O)COc1ccc(Cl)cc1Cl)[N+](=O)[O-]- InChIKey
YLAJBOXPVQKKED-UHFFFAOYSA-N- Molecular formula
- C15H15Cl2N3O6
- Average molar mass
- 404.2 g/mol
- Monoisotopic mass
- 403.0337906
Names & identifiers
- Preferred name
- Methyl(1-((2,4-dichlorphenoxy)acetyl)-3-methyl-2-imidazolidinylidene)nitroacetate
- IUPAC
- methyl 2-[1-[2-(2,4-dichlorophenoxy)acetyl]-3-methylimidazolidin-2-ylidene]-2-nitroacetate
Names & synonyms
SCHEMBL11737173YLAJBOXPVQKKED-UHFFFAOYSA-Nmethyl(1-((2,4-dichlorphenoxy)acetyl)-3-methyl-2-imidazolidinylidene)nitroacetate
Database identifiers
- PubChem CID
- 54513855
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 609
Related reactions
1 records
Compound notes
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