Basic information
- Standard SMILES
COc1cccc(OC)c1/C=C/S(=O)(=O)Cc1cnc(OC)c([N+](=O)[O-])c1- InChIKey
VDKMAAFFWMZZHP-BQYQJAHWSA-N- Molecular formula
- C17H18N2O7S
- Average molar mass
- 394.4 g/mol
Names & identifiers
- Preferred name
- (E)-5-((2,6-Dimethoxystyrylsulfonyl)methyl)-2-methoxy-3-nitropyridine
- IUPAC
- 5-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfonylmethyl]-2-methoxy-3-nitropyridine
Names & synonyms
SCHEMBL9983519VDKMAAFFWMZZHP-BQYQJAHWSA-N(E)-5-((2,6-Dimethoxystyrylsulfonyl)methyl)-2-methoxy-3-nitropyridine
Database identifiers
- PubChem CID
- 86690905
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 602
Related reactions
1 records
Compound notes
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