Basic information
- CAS
64260-92-0- Standard SMILES
CCOC(=O)c1ccc(NCc2cccc([N+](=O)[O-])c2)cc1- InChIKey
AMQQAAGNLXOYRH-UHFFFAOYSA-N- Molecular formula
- C16H16N2O4
- Average molar mass
- 300.31 g/mol
- Monoisotopic mass
- 300.111007
Names & identifiers
- Preferred name
- Ethyl 4-{[(3-nitrophenyl)methyl]amino}benzoate
- IUPAC
- ethyl 4-[(3-nitrophenyl)methylamino]benzoate
Names & synonyms
64260-92-0NSC210548Ethyl 4-{[(3-nitrophenyl)methyl]amino}benzoateSCHEMBL11246229DTXSID40308991AKOS002632326NSC-210548
Database identifiers
- CAS
64260-92-0- PubChem CID
- 308679
- DTXSID
DTXSID40308991
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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