Ethyl 2-cyano-7-(2,4-dinitroanilino)-4,6-dimethylhepta-2,4,6-trienoate
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Basic information
- Standard SMILES
CCOC(=O)C(C#N)=CC(C)=CC(C)=CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
ICKAYMRQKSQOGB-UHFFFAOYSA-N- Molecular formula
- C18H18N4O6
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.12263431
Names & identifiers
- Preferred name
- Ethyl 2-cyano-7-(2,4-dinitroanilino)-4,6-dimethylhepta-2,4,6-trienoate
- IUPAC
- ethyl 2-cyano-7-(2,4-dinitroanilino)-4,6-dimethylhepta-2,4,6-trienoate
Database identifiers
- PubChem CID
- 337119
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 750
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Compound notes
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