Basic information
- Standard SMILES
CC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)OCC1CC1- InChIKey
JHVVBHDSSVBWSK-UHFFFAOYSA-N- Molecular formula
- C15H15NO5
- Average molar mass
- 289.28 g/mol
Names & identifiers
- Preferred name
- Cyclopropylmethyl 2-(3-nitrobenzylidene)acetoacetate
- IUPAC
- cyclopropylmethyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate
Names & synonyms
SCHEMBL9795031JHVVBHDSSVBWSK-UHFFFAOYSA-Ncyclopropylmethyl 2-(3-nitrobenzylidene)acetoacetatecyclopropylmethyl 2-(3-nitrobenzylidene)-acetoacetate
Database identifiers
- PubChem CID
- 53956239
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 461
Related reactions
5 records
Compound notes
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