Basic information
- Standard SMILES
Cc1cccc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
VTWINTWYKJSXEK-UHFFFAOYSA-N- Molecular formula
- C21H16N4O5
- Average molar mass
- 404.4 g/mol
Names & identifiers
- Preferred name
- 4-[5-(2,6-Dimethylphenoxy)-2,4-dinitro-anilino]benzonitrile
- IUPAC
- 4-[5-(2,6-dimethylphenoxy)-2,4-dinitroanilino]benzonitrile
Names & synonyms
SCHEMBL2902627CHEMBL11733954-[5-(2,6-dimethylphenoxy)-2,4-dinitro-anilino]benzonitrileN-(4'-Cyanophenyl)-5-(2",6"-dimethylphenoxy)-2,4-dinitroaniline
Database identifiers
- PubChem CID
- 49777917
- ChEMBL
CHEMBL1173395
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 651
Related reactions
1 records
Compound notes
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