Methyl 5-chloro-2-{2-[(4-nitrobenzyl)amino]-2-oxoethoxy}benzoate
Basic information
- CAS
21456-13-3- Standard SMILES
COC(=O)c1cc(Cl)ccc1OCC(=O)NCc1ccc([N+](=O)[O-])cc1- InChIKey
VBTSPIPTVNPSCU-UHFFFAOYSA-N- Molecular formula
- C17H15ClN2O6
- Average molar mass
- 378.8 g/mol
- Monoisotopic mass
- 378.0618639
Names & identifiers
- Preferred name
- Methyl 5-chloro-2-{2-[(4-nitrobenzyl)amino]-2-oxoethoxy}benzoate
- IUPAC
- methyl 5-chloro-2-[2-[(4-nitrophenyl)methylamino]-2-oxoethoxy]benzoate
Names & synonyms
21456-13-3NSC 160940methyl 5-chloro-2-{2-[(4-nitrobenzyl)amino]-2-oxoethoxy}benzoateNSC160940DTXSID00303760NSC-160940DS-001511methyl 5-chloro-2-[(4-nitrophenyl)methylcarbamoylmethoxy]benzoateMethyl 5-chloro-2-(2-{[(4-nitrophenyl)methyl]amino}-2-oxoethoxy)benzoate
Database identifiers
- CAS
21456-13-3- PubChem CID
- 293799
- DTXSID
DTXSID00303760
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 504
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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