[2-(4-Methoxyanilino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate
Basic information
- CAS
5529-67-9- Standard SMILES
COc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1- InChIKey
SEVUFEQYQGKBJV-UHFFFAOYSA-N- Molecular formula
- C23H17ClN2O7
- Average molar mass
- 468.8 g/mol
- Monoisotopic mass
- 468.0724286
Names & identifiers
- Preferred name
- [2-(4-Methoxyanilino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate
- IUPAC
- [2-(4-methoxyanilino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate
Names & synonyms
5529-67-9[2-(4-methoxyanilino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate[(4-methoxyphenyl)carbamoyl]methyl 2-(4-chloro-3-nitrobenzoyl)benzoateAGN-PC-0LOMVSDTXSID80410729AKOS033616026Z183960932-(4-Methoxyanilino)-2-oxoethyl 2-(4-chloro-3-nitrobenzoyl)benzoate
Database identifiers
- CAS
5529-67-9- PubChem CID
- 5217239
- DTXSID
DTXSID80410729
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 720
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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