Basic information
- Standard SMILES
COC(=O)C(=Cc1ccccc1Br)c1ccc([N+](=O)[O-])cc1C(=O)OC- InChIKey
DFKRICQNVDTDRK-UHFFFAOYSA-N- Molecular formula
- C18H14BrNO6
- Average molar mass
- 420.2 g/mol
Names & identifiers
- Preferred name
- Methyl 2-[1-(2-bromophenyl)-3-methoxy-3-oxoprop-1-en-2-yl]-5-nitrobenzoate
- IUPAC
- methyl 2-[1-(2-bromophenyl)-3-methoxy-3-oxoprop-1-en-2-yl]-5-nitrobenzoate
Names & synonyms
SCHEMBL9077623
Database identifiers
- PubChem CID
- 53757410
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 573
Related reactions
1 records
Compound notes
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