Basic information
- CAS
90011-52-2- Standard SMILES
CCOC(=O)c1ccccc1C=Cc1ccccc1[N+](=O)[O-]- InChIKey
SYZNDMYUWPYVBV-UHFFFAOYSA-N- Molecular formula
- C17H15NO4
- Average molar mass
- 297.3 g/mol
- Monoisotopic mass
- 297.10010796
Names & identifiers
- Preferred name
- Ethyl 2-[2-(2-nitrophenyl)ethenyl]benzoate
- IUPAC
- ethyl 2-[2-(2-nitrophenyl)ethenyl]benzoate
Names & synonyms
ethyl 2-[2-(2-nitrophenyl)ethenyl]benzoate90011-52-2SCHEMBL11000520DTXSID70710629SYZNDMYUWPYVBV-UHFFFAOYSA-NEthyl 2-[2-(2-nitrophenyl)ethen-1-yl]benzoate
Database identifiers
- CAS
90011-52-2- PubChem CID
- 54332003
- DTXSID
DTXSID70710629
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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