Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[(3-cyanophenyl)amino]-2-oxoethyl ester
Basic information
- CAS
745787-32-0- Standard SMILES
CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)Nc2cccc(C#N)c2)cc1- InChIKey
UZHJBUFQELQCSN-UHFFFAOYSA-N- Molecular formula
- C24H21N5O3
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 427.16443955
Names & identifiers
- Preferred name
- Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[(3-cyanophenyl)amino]-2-oxoethyl ester
- IUPAC
- [2-(3-cyanoanilino)-2-oxoethyl] 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate
Names & synonyms
DTXSID901040634AKOS030643140745787-32-0Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-[(3-cyanophenyl)amino]-2-oxoethyl esterZ18987830
Database identifiers
- CAS
745787-32-0- PubChem CID
- 3926154
- DTXSID
DTXSID901040634
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 708
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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