Basic information
- Standard SMILES
CCc1nc(C)cc(=O)n1CCOc1ccc([N+](=O)[O-])cc1- InChIKey
IVOQKGWHBLOGQP-UHFFFAOYSA-N- Molecular formula
- C15H17N3O4
- Average molar mass
- 303.31 g/mol
- Monoisotopic mass
- 303.12190603
Names & identifiers
- Preferred name
- 4-[2-[2-Ethyl-4-methyl-6-oxo-1,6-dihydro-1-pyrimidinyl]ethoxy]nitrobenzene
- IUPAC
- 2-ethyl-6-methyl-3-[2-(4-nitrophenoxy)ethyl]pyrimidin-4-one
Names & synonyms
4-[2-[2-ethyl-4-methyl-6-oxo-1,6-dihydro-1-pyrimidinyl]ethoxy]nitrobenzeneSCHEMBL5935581IVOQKGWHBLOGQP-UHFFFAOYSA-N199114-43-7DB-3672184-[2-[2-Ethyl-4-methyl-6-oxo-1,6dihydro-1-pyrimidinyl]ethoxy]nitrobenzene4-[2-[2-ethyl-4-methyl-6-oxo- 1,6-dihydro-1-pyrimidinyl]ethoxy]nitrobenzene
Database identifiers
- PubChem CID
- 21960135
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 488
Related reactions
15 records
Compound notes
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