ethanol; 4-(3-nitrophenyl)-6-oxidanyl-5-(phenylcarbonyl)-6-(trifluoromethyl)piperidin-2-one

Systemtic Name: ethanol; 4-(3-nitrophenyl)-6-oxidanyl-5-(phenylcarbonyl)-6-(trifluoromethyl)piperidin-2-one Openeye Name: 5-benzoyl-6-hydroxy-4-(3-nitrophenyl)-6-(trifluoromethyl)piperidin-2-one; ethanol CAS Name: 5-benzoyl-6-hydroxy-4-(3-nitrophenyl)-6-(trifluoromethyl)-2-piperidinone; ethanol IUPAC Name: 5-benzoyl-6-hydroxy-4-(3-nitrophenyl)-6-(trifluoromethyl)piperidin-2-one; ethanol Traditional Name: 5-benzoyl-6-hydroxy-4-(3-nitrophenyl)-6-(trifluoromethyl)-2-piperidone; ethanol Formula: C21H21F3N2O6 MolecularWeight: 454.39645

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Descriptors Computed from Structure

Canonical SMILES:

CCO.C1C(C(C(NC1=O)(C(F)(F)F)O)C(=O)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCO.C1C(C(C(NC1=O)(C(F)(F)F)O)C(=O)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H15F3N2O5.C2H6O/c20-19(21,22)18(27)16(17(26)11-5-2-1-3-6-11)14(10-15(25)23-18)12-7-4-8-13(9-12)24(28)29;1-2-3/h1-9,14,16,27H,10H2,(H,23,25);3H,2H2,1H3