Basic information
- Standard SMILES
CCOC(=O)C(C(CC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-]- InChIKey
PKIXZERKOWOKQT-UHFFFAOYSA-N- Molecular formula
- C19H18N2O7
- Average molar mass
- 386.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-nitro-3-(3-nitrophenyl)-5-oxo-5-phenylpentanoate
- IUPAC
- ethyl 2-nitro-3-(3-nitrophenyl)-5-oxo-5-phenylpentanoate
Names & synonyms
SCHEMBL9872402PKIXZERKOWOKQT-UHFFFAOYSA-Nethyl 2-nitro-3-(3-nitrophenyl)-5-oxo-5-phenylpentanoate
Database identifiers
- PubChem CID
- 10068705
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 578
Related reactions
5 records
Compound notes
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