Basic information
- Standard SMILES
CCOC(=O)C1C(c2cccc([N+](=O)[O-])c2)C2=C(CCCC2=O)NC1(O)C(F)(F)F- InChIKey
KWBXZKWQCUQYIF-UHFFFAOYSA-N- Molecular formula
- C19H19F3N2O6
- Average molar mass
- 428.4 g/mol
Names & identifiers
- Preferred name
- 3-carboethoxy-2-trifluoromethyl-2-hydroxy-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-5(1H)-quinolone
- IUPAC
- ethyl 2-hydroxy-4-(3-nitrophenyl)-5-oxo-2-(trifluoromethyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
Names & synonyms
3-carboethoxy-2-trifluoromethyl-2-hydroxy-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-5(1H)-quinoloneSCHEMBL78383853-carboethoxy-2-trifluoromethyl-2-hydroxy-4(3-nitrophenyl)-2,3,4,6,7,8-hexahydro-5(1H)-quinolone3-carboethoxy-2-trifluoromethyl-2-hydroxy-4-(3-nitrophenyl) -4,6,7,8-tetrahydro-5(1H)-quinolone3-carboethoxy-2-trifluoromethyl-2-hydroxy-4-(3-nitrophenyl)-2,3,4,6,7,8-hexahydro-5(1H)-quinolone
Database identifiers
- PubChem CID
- 19958905
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 762
Related reactions
5 records
Linked notes
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