Basic information
- CAS
329940-49-0- Standard SMILES
CCOC(=O)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1- InChIKey
JSWSHCQHGNNRPC-UHFFFAOYSA-N- Molecular formula
- C17H16N2O5
- Average molar mass
- 328.32 g/mol
- Monoisotopic mass
- 328.10592162
Names & identifiers
- Preferred name
- Ethyl 4-[(4-methyl-3-nitrobenzoyl)amino]benzoate
- IUPAC
- ethyl 4-[(4-methyl-3-nitrobenzoyl)amino]benzoate
Names & synonyms
ethyl 4-[(4-methyl-3-nitrobenzoyl)amino]benzoateETHYL 4-(4-METHYL-3-NITROBENZAMIDO)BENZOATEETHYL 4-((4-METHYL-3-NITROBENZOYL)AMINO)BENZOATEOprea1_706367ethyl 4-{[(4-methyl-3-nitrophenyl)carbonyl]amino}benzoateSTK094118AKOS002953202329940-49-0ST010825AK-968/11634183ethyl 4-({3-nitro-4-methylbenzoyl}amino)benzoateethyl 4-[(4-methyl-3-nitrophenyl)carbonylamino]benzoate
Database identifiers
- CAS
329940-49-0- PubChem CID
- 710853
- EC Number
- 141-039-4
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 468
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
0 records
No reaction records under the current filter.
Compound notes
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