Methyl 5-chloro-2-{2-[(4-nitrophenyl)amino]-2-oxoethoxy}benzoate
Basic information
- CAS
21447-10-9- Standard SMILES
COC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1- InChIKey
INLXZACMZOPLPO-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2O6
- Average molar mass
- 364.73 g/mol
- Monoisotopic mass
- 364.0462138
Names & identifiers
- Preferred name
- Methyl 5-chloro-2-{2-[(4-nitrophenyl)amino]-2-oxoethoxy}benzoate
- IUPAC
- methyl 5-chloro-2-[2-(4-nitroanilino)-2-oxoethoxy]benzoate
Names & synonyms
21447-10-9methyl 5-chloro-2-{2-[(4-nitrophenyl)amino]-2-oxoethoxy}benzoateNSC160938methyl 5-chloro-2-[2-(4-nitroanilino)-2-oxoethoxy]benzoateDTXSID30303758NSC-160938DS-001510methyl 5-chloro-2-[(4-nitrophenyl)carbamoylmethoxy]benzoate
Database identifiers
- CAS
21447-10-9- PubChem CID
- 293797
- DTXSID
DTXSID30303758
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 490
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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