Basic information
- Standard SMILES
CCOc1cc(C(CC(=O)OC)N2Cc3cccc([N+](=O)[O-])c3C2=O)ccc1OC(F)F- InChIKey
IUXDYCMYPDJCRR-UHFFFAOYSA-N- Molecular formula
- C21H20F2N2O7
- Average molar mass
- 450.4 g/mol
Names & identifiers
- Preferred name
- 3-(4-Difluoromethoxy-3-ethoxy-phenyl)-3-(7-nitro-1-oxo-1,3-dihydro-isoindol-2-yl)-propionic acid methyl ester
- IUPAC
- methyl 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(4-nitro-3-oxo-1H-isoindol-2-yl)propanoate
Names & synonyms
3-(4-difluoromethoxy-3-ethoxy-phenyl)-3-(7-nitro-1-oxo-1,3-dihydro-isoindol-2-yl)-propionic acid methyl esterSCHEMBL1143878
Database identifiers
- PubChem CID
- 10072443
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 690
Related reactions
7 records
Compound notes
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