2-[(2-Cyanoethyl)[4-[(2-cyano-4-nitrophenyl)azo]phenyl]amino]ethyl phenoxyacetate
Basic information
- CAS
13555-64-1- Standard SMILES
N#CCCN(CCOC(=O)COc1ccccc1)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C#N)cc1- InChIKey
NNTORMOUOAPPSO-UHFFFAOYSA-N- Molecular formula
- C26H22N6O5
- Average molar mass
- 498.5 g/mol
- Monoisotopic mass
- 498.16516782
Names & identifiers
- Preferred name
- 2-[(2-Cyanoethyl)[4-[(2-cyano-4-nitrophenyl)azo]phenyl]amino]ethyl phenoxyacetate
- IUPAC
- 2-[N-(2-cyanoethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]ethyl 2-phenoxyacetate
- English name
- 2-[(2-cyanoethyl)[4-[(2-cyano-4-nitrophenyl)azo]phenyl]amino]ethyl phenoxyacetate
- Molecular formula
- C26H22N6O5
- Molecular weight
- 498.49
Names & synonyms
13555-64-12-[(2-CYANOETHYL)[4-[(2-CYANO-4-NITROPHENYL)AZO]PHENYL]AMINO]ETHYL PHENOXYACETATEEINECS 236-940-5NNTORMOUOAPPSO-UHFFFAOYSA-N2-[N-(2-cyanoethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]ethyl 2-phenoxyacetateSCHEMBL9589258SCHEMBL9589262DTXSID2010395892-((2-Cyanoethyl)(4-((2-cyano-4-nitrophenyl)azo)phenyl)amino)ethylphenoxyacetateNS00052391Acetic acid, 2-phenoxy-, 2-[(2-cyanoethyl)[4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]amino]ethyl esterPhenoxyacetic acid 2-[(2-cyanoethyl)[4-[(2-cyano-4-nitrophenyl)azo]phenyl]amino]ethyl ester
Database identifiers
- CAS
13555-64-1- PubChem CID
- 83575
- DTXSID
DTXSID201039589- EC Number
- 236-940-5
- Nikkaji
- J241.186E
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 860
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Compound notes
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