Basic information
- Standard SMILES
COc1ccc(N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)c(NCCO)c1- InChIKey
WNFCPVVDBQXSIY-UHFFFAOYSA-N- Molecular formula
- C21H17N3O6
- Average molar mass
- 407.4 g/mol
Names & identifiers
- Preferred name
- 2-{2-[(2-hydroxyethyl)amino]4-methoxyphenyl}-5-nitro-1H-benzo-[de]isoquinolin-1,3(2H)-dione
- IUPAC
- 2-[2-(2-hydroxyethylamino)-4-methoxyphenyl]-5-nitrobenzo[de]isoquinoline-1,3-dione
Names & synonyms
SCHEMBL3891237WNFCPVVDBQXSIY-UHFFFAOYSA-N2-{2-[(2-hydroxyethyl)amino]4-methoxyphenyl}-5-nitro-1H-benzo-[de]isoquinolin-1,3(2H)-dione
Database identifiers
- PubChem CID
- 68828355
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 682
Related reactions
2 records
Compound notes
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