Basic information
- Standard SMILES
COc1ccc(CC(CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)[N+](=O)[O-])cc1OC- InChIKey
ZARDDSOJPPJZEP-UHFFFAOYSA-N- Molecular formula
- C26H34N2O6
- Average molar mass
- 470.6 g/mol
Names & identifiers
- Preferred name
- 1-(3,4-Dimethoxyphenyl)-2-nitro-6-cyano-6-(prop-2-yl)-6-(3,4-dimethoxyphenyl)hexane
- IUPAC
- 2,7-bis(3,4-dimethoxyphenyl)-6-nitro-2-propan-2-ylheptanenitrile
Names & synonyms
SCHEMBL10773625ZARDDSOJPPJZEP-UHFFFAOYSA-N1-(3,4-dimethoxyphenyl)-2-nitro-6-cyano-6-(prop-2-yl)-6-(3,4-dimethoxyphenyl)hexane
Database identifiers
- PubChem CID
- 13745756
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 674
Related reactions
15 records
Compound notes
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