Benzeneacetic acid, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)-alpha-methyl-, ethyl ester
Basic information
- CAS
81743-94-4- Standard SMILES
CCOC(=O)C(C)c1ccc(-n2[se]c3ccccc3c2=O)cc1- InChIKey
ZISXFLNTLWRHHF-UHFFFAOYSA-N- Molecular formula
- C18H17NO3Se
- Average molar mass
- 374.3 g/mol
- Monoisotopic mass
- 375.03737
Names & identifiers
- Preferred name
- Benzeneacetic acid, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)-alpha-methyl-, ethyl ester
- IUPAC
- ethyl 2-[4-(3-oxo-1,2-benzoselenazol-2-yl)phenyl]propanoate
- English name
- ethyl 2-[4-(7-oxo-9-selena-8-azabicyclo[4.3.0]nona-1,3,5-trien-8-yl)ph enyl]propanoate
- Molecular formula
- C18H17NO3Se
- Molecular weight
- 0
Names & synonyms
81743-94-4Ethyl 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)-alpha-methylbenzeneacetateBenzeneacetic acid, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)-alpha-methyl-, ethyl esterRefChem:324180SCHEMBL10601544DTXSID501002177Ethyl 2-[4-(3-oxo-1,2-benzoselenazol-2(3H)-yl)phenyl]propanoateethyl 2-[4-(7-oxo-9-selena-8-azabicyclo[4.3.0]nona-1,3,5-trien-8-yl)ph enyl]propanoate
Database identifiers
- CAS
81743-94-4- PubChem CID
- 3067571
- DTXSID
DTXSID501002177
Properties
Computed structural properties
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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