Basic information
- Standard SMILES
CCOC(=O)CC(=O)C=Cc1ccccc1[N+](=O)[O-]- InChIKey
IMHBTDWTTQPAQW-UHFFFAOYSA-N- Molecular formula
- C13H13NO5
- Average molar mass
- 263.25 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-nitrobenzylidene-acetoacetate
- IUPAC
- ethyl 5-(2-nitrophenyl)-3-oxopent-4-enoate
Names & synonyms
SCHEMBL10348541IMHBTDWTTQPAQW-UHFFFAOYSA-Nethyl 2-nitrobenzylidene-acetoacetate2-nitrobenzylideneacetoacetic acid ethyl ester
Database identifiers
- PubChem CID
- 53923751
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 372
Related reactions
6 records
Compound notes
Loading…