2-[(2-Cyanoethyl){4-[(2-cyano-4-nitrophenyl)diazenyl]-3-methylphenyl}amino]ethyl acetate
Basic information
- CAS
84000-67-9- Standard SMILES
CC(=O)OCCN(CCC#N)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C#N)c(C)c1- InChIKey
BDLFAXHFDUNIPB-UHFFFAOYSA-N- Molecular formula
- C21H20N6O4
- Average molar mass
- 420.4 g/mol
- Monoisotopic mass
- 420.15460314
Names & identifiers
- Preferred name
- 2-[(2-Cyanoethyl){4-[(2-cyano-4-nitrophenyl)diazenyl]-3-methylphenyl}amino]ethyl acetate
- IUPAC
- 2-[N-(2-cyanoethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]-3-methylanilino]ethyl acetate
Names & synonyms
DTXSID0011181992-[(2-Cyanoethyl){4-[(2-cyano-4-nitrophenyl)diazenyl]-3-methylphenyl}amino]ethyl acetate2-[2-[4-[[2-(Acetyloxy)ethyl](2-cyanoethyl)amino]-2-methylphenyl]diazenyl]-5-nitrobenzonitrile
Database identifiers
- CAS
84000-67-9- PubChem CID
- 102058732
- DTXSID
DTXSID001118199- Nikkaji
- J332.938K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 748
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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