Basic information
- Standard SMILES
Cc1cc(C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
XROJGKMFAAGALH-UHFFFAOYSA-N- Molecular formula
- C22H15N5O5
- Average molar mass
- 429.4 g/mol
Names & identifiers
- Preferred name
- 4-[5-(4-Cyanoanilino)-2,4-dinitro-phenoxy]-3,5-dimethyl-benzonitrile
- IUPAC
- 4-[5-(4-cyanoanilino)-2,4-dinitrophenoxy]-3,5-dimethylbenzonitrile
Names & synonyms
SCHEMBL2898995CHEMBL11731084-[5-(4-cyanoanilino)-2,4-dinitro-phenoxy]-3,5-dimethyl-benzonitrile5-(4"-Cyano-2",6"-dimethylphenoxy)-N-(4'-cyanophenyl)-2,4-dinitroaniline
Database identifiers
- PubChem CID
- 49777918
- ChEMBL
CHEMBL1173108
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 772
Related reactions
2 records
Compound notes
Loading…