2-[[5-Acetamido-4-[(2-chloro-4,6-dinitrophenyl)azo]-2-methoxyphenyl](2-hydroxyethyl)amino]ethyl acetate
Basic information
- CAS
21429-42-5- Standard SMILES
COc1cc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2[N+](=O)[O-])c(NC(C)=O)cc1N(CCO)CCOC(C)=O- InChIKey
PTFFWQCVPCXSOG-UHFFFAOYSA-N- Molecular formula
- C21H23ClN6O9
- Average molar mass
- 538.9 g/mol
- Monoisotopic mass
- 538.121504
Names & identifiers
- Preferred name
- 2-[[5-Acetamido-4-[(2-chloro-4,6-dinitrophenyl)azo]-2-methoxyphenyl](2-hydroxyethyl)amino]ethyl acetate
- IUPAC
- 2-[5-acetamido-4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-N-(2-hydroxyethyl)-2-methoxyanilino]ethyl acetate
- English name
- 2-[[5-acetamido-4-[(2-chloro-4,6-dinitrophenyl)azo]-2-methoxyphenyl](2-hydroxyethyl)amino]ethyl acetate
- Molecular formula
- C21H23ClN6O9
- Molecular weight
- 538.9
Names & synonyms
21429-42-52-[[5-acetamido-4-[(2-chloro-4,6-dinitrophenyl)azo]-2-methoxyphenyl](2-hydroxyethyl)amino]ethyl acetate2-((5-Acetamido-4-((2-chloro-4,6-dinitrophenyl)azo)-2-methoxyphenyl)(2-hydroxyethyl)amino)ethyl acetateEINECS 244-382-9DTXSID30864990PTFFWQCVPCXSOG-UHFFFAOYSA-NDTXSID501043729NS000505022-[{5-Acetamido-4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl}(2-hydroxyethyl)amino]ethyl acetate2-[{5-Acetamido-4-[(E)-(2-chloro-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl}(2-hydroxyethyl)amino]ethyl acetateAcetamide, N-(5-((2-(acetyloxy)ethyl)(2-hydroxyethyl)amino)-2-((2-chloro-4,6-dinitrophenyl)azo)-4-methoxyphenyl)-N-[5-[[2-(Acetyloxy)ethyl](2-hydroxyethyl)amino]-2-[(2-chloro-4,6-dinitrophenyl)azo]-4-methoxyphenyl]acetamide
Show more names
Acetamide, N-(5-((2-(acetyloxy)ethyl)(2-hydroxyethyl)amino)-2-((2-chlo ro-4,6-dinitrophenyl)azo)-4-methoxyphenyl)-Acetamide, N-[5-[[2-(acetyloxy)ethyl](2-hydroxyethyl)amino]-2-[2-(2-chloro-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]-
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 204 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 838
Related reactions
0 records
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Compound notes
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