Basic information
- Standard SMILES
Cc1cc(C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c(N)cc1[N+](=O)[O-]- InChIKey
DNZGOQMIRFGZKL-UHFFFAOYSA-N- Molecular formula
- C22H17N5O3
- Average molar mass
- 399.4 g/mol
- Monoisotopic mass
- 399.13313942
Names & identifiers
- Preferred name
- Benzonitrile, 4-[4-amino-5-[(4-cyanophenyl)amino]-2-nitrophenoxy]-3,5-dimethyl-
- IUPAC
- 4-[4-amino-5-(4-cyanoanilino)-2-nitrophenoxy]-3,5-dimethylbenzonitrile
Names & synonyms
1148021-61-7Benzonitrile, 4-[4-amino-5-[(4-cyanophenyl)amino]-2-nitrophenoxy]-3,5-dimethyl-SCHEMBL2896915CHEMBL11727834-[4-amino-5-[(4-cyanophenyl)amino]-2-nitrophenoxy]-3,5-dimethyl-BenzonitrileBenzonitrile,4-[4-amino-5-[(4-cyanophenyl)amino]-2-nitrophenoxy]-3,5-dimethyl-DB-3490254-[4-amino-5-(4-cyanoanilino)-2-nitro-phenoxy]-3,5-dimethyl-benzonitrile5-(4"-Cyano-2",6"-dimethylphenoxy)-N1-(4'-cyanophenyl)-4-nitrobenzene-1,2-diamine
Database identifiers
- PubChem CID
- 25265802
- ChEMBL
CHEMBL1172783
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 687
Related reactions
1 records
Compound notes
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