Basic information
- Standard SMILES
COC(=O)C(=Cc1c(OC)cc(OC)cc1OC)[N+](=O)[O-]- InChIKey
YZPQGUSGVWCEFZ-UHFFFAOYSA-N- Molecular formula
- C13H15NO7
- Average molar mass
- 297.26 g/mol
Names & identifiers
- Preferred name
- Methyl 2-nitro-3-(2,4,6-trimethoxyphenyl)prop-2-enoate
- IUPAC
- methyl 2-nitro-3-(2,4,6-trimethoxyphenyl)prop-2-enoate
Names & synonyms
SCHEMBL3969808
Database identifiers
- PubChem CID
- 85535481
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 390
Related reactions
2 records
Linked notes
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