3-[[2-(Benzoyloxy)ethyl][4-[2-(2-chloro-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]propanenitrile
Basic information
- CAS
20339-55-3- Standard SMILES
Cc1cc(N(CCC#N)CCOC(=O)c2ccccc2)ccc1N=Nc1ccc([N+](=O)[O-])cc1Cl- InChIKey
WHPIKYRFNMHMKN-UHFFFAOYSA-N- Molecular formula
- C25H22ClN5O4
- Average molar mass
- 491.9 g/mol
- Monoisotopic mass
- 491.1360319
Names & identifiers
- Preferred name
- 3-[[2-(Benzoyloxy)ethyl][4-[2-(2-chloro-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]propanenitrile
- IUPAC
- 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)-3-methylanilino]ethyl benzoate
- English name
- 2-[4-[(2-chloro-4-nitrophenyl)azo]-N-(2-cyanoethyl)-3-methylanilino]ethyl benzoate
- Molecular formula
- C25H22ClN5O4
- Molecular weight
- 491.93
Names & synonyms
20339-55-33-((2-(Benzoyloxy)ethyl)(4-(2-(2-chloro-4-nitrophenyl)diazenyl)-3-methylphenyl)amino)propanenitrile3-[[2-(Benzoyloxy)ethyl][4-[2-(2-chloro-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]propanenitrileRefChem:272882EINECS 243-745-92-(4-((2-Chloro-4-nitrophenyl)azo)-N-(2-cyanoethyl)-3-methylanilino)ethyl benzoateWHPIKYRFNMHMKN-UHFFFAOYSA-NDTXSID201037519DB-313420NS000508802-[{4-[(2-Chloro-4-nitrophenyl)diazenyl]-3-methylphenyl}(2-cyanoethyl)amino]ethyl benzoate2-[4-[(2-Chloro-4-nitrophenyl )azo]-N-(2-cyanoethyl )-3-methylanilino]ethyl benzoate
Show more names
2-[4-[(2-chloro-4-nitrophenyl)azo]-N-(2-cyanoethyl)-3-methylanilino]ethyl benzoate3-[[2-(Benzoyloxy)ethyl][4-[(2-chloro-4-nitrophenyl)azo]-3-methylphenyl]amino]propiononitrilePropanenitrile, 3-[[2-(benzoyloxy)ethyl][4-[2-(2-chloro-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]-
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 776
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Propanenitrile, 3-[[2-(benzoyloxy)ethyl][4-[(2-chloro-4-nitrophenyl)azo]-3-methylphenyl]amino]-
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Compound notes
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