Completing data — refresh the page later to see the latest
Basic information
- CAS
183495-91-2- Standard SMILES
CCOC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
JZWBZRKMYFWJPY-UHFFFAOYSA-N- Molecular formula
- C16H14N2O5
- Average molar mass
- 314.29 g/mol
- Monoisotopic mass
- 314.09027155
Names & identifiers
- Preferred name
- Ethyl 2-[(4-nitrobenzoyl)amino]benzoate
- IUPAC
- ethyl 2-[(4-nitrobenzoyl)amino]benzoate
Names & synonyms
ethyl 2-[(4-nitrobenzoyl)amino]benzoateETHYL 2-((4-NITROBENZOYL)AMINO)BENZOATEOprea1_159004SCHEMBL7367856JZWBZRKMYFWJPY-UHFFFAOYSA-NSTK055133AKOS002944985183495-91-2ST0107682-ethoxycarbonyl-N-(4-nitrobenzoyl)anilineETHYL 2-(4-NITROBENZAMIDO)BENZOATEethyl 2-[(4-nitrophenyl)carbonylamino]benzoate
Show more names
AB00088368-01ethyl 2-{[(4-nitrophenyl)carbonyl]amino}benzoate
Database identifiers
- CAS
183495-91-2- PubChem CID
- 710786
- EC Number
- 169-499-1
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 440
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Related reactions
2 records
Compound notes
Loading…