Basic information
- Standard SMILES
CCOc1ncccc1C1(C(C(=O)OC)C(=O)OC)C(=O)Nc2ccc(C#N)cc21- InChIKey
ZJPKYZHRTMFKBL-UHFFFAOYSA-N- Molecular formula
- C21H19N3O6
- Average molar mass
- 409.4 g/mol
Names & identifiers
- Preferred name
- Dimethyl [5-cyano-3-(2-ethoxypyridin-3-yl)-2-oxo-2,3-dihydro-1H-indol-3-yl]-malonate
- IUPAC
- dimethyl 2-[5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]propanedioate
Names & synonyms
SCHEMBL1479875ZJPKYZHRTMFKBL-UHFFFAOYSA-NDimethyl [5-cyano-3-(2-ethoxypyridin-3-yl)-2-oxo-2,3-dihydro-1H-indol-3-yl]-malonateDimethyl[5-cyano-3-(2-ethoxypyridin-3-yl)-2-oxo-2,3-dihydro-1H-indol-3-yl]-malonate
Database identifiers
- PubChem CID
- 67048639
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 717
Related reactions
2 records
Compound notes
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