Ethyl 4-[(4-nitrobenzoyl)amino]benzoate
Basic information
- CAS
50888-97-6- Standard SMILES
CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1- InChIKey
VGGSVWVYEYVFFO-UHFFFAOYSA-N- Molecular formula
- C16H14N2O5
- Average molar mass
- 314.29 g/mol
- Monoisotopic mass
- 314.09027155
Names & identifiers
- Preferred name
- Ethyl 4-[(4-nitrobenzoyl)amino]benzoate
- IUPAC
- ethyl 4-[(4-nitrobenzoyl)amino]benzoate
Names & synonyms
ethyl 4-[(4-nitrobenzoyl)amino]benzoate50888-97-6ETHYL 4-(4-NITROBENZAMIDO)BENZOATEZINC185726Benzoic acid, 4-[(4-nitrobenzoyl)amino]-, ethyl esterZINC00185726Oprea1_410929CBDivE_002466ethyl4(4nitrobenzamido)benzoateSCHEMBL9644607DTXSID10353534MFCD00396948
Show more names
STK100477AKOS001586590ZINC000000185726ETHYL4((4NITROBENZOYL)AMINO)BENZOATEAB00073791-014-(4-Nitro-benzoylamino)-benzoic acid ethyl esterethyl 4-{[(4-nitrophenyl)carbonyl]amino}benzoateSR-01000389864
Database identifiers
- CAS
50888-97-6- PubChem CID
- 744546
- DTXSID
DTXSID10353534
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
- 23
- Formal charge
- 0
- Complexity
- 432
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Related reactions
0 records
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Compound notes
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