Basic information
- Standard SMILES
CCOC(=O)C(C#N)=Cc1cc([N+](=O)[O-])ccc1Cl- InChIKey
DOTVINAUVQPFIC-UHFFFAOYSA-N- Molecular formula
- C12H9ClN2O4
- Average molar mass
- 280.66 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-chloro-5-nitro-alpha-cyanocinnamate
- IUPAC
- ethyl 3-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enoate
Names & synonyms
SCHEMBL9551005DOTVINAUVQPFIC-UHFFFAOYSA-NEthyl 2-chloro-5-nitro-alpha-cyanocinnamate
Database identifiers
- PubChem CID
- 314268
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 435
Related reactions
3 records
Compound notes
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