6-(5-nitro-2-oxidanyl-phenyl)-4-oxidanyl-5-thiophen-2-ylcarbonyl-4-(trifluoromethyl)-1,3-diazinan-2-one

Systemtic Name: 6-(5-nitro-2-oxidanyl-phenyl)-4-oxidanyl-5-thiophen-2-ylcarbonyl-4-(trifluoromethyl)-1,3-diazinan-2-one Openeye Name: 4-hydroxy-6-(2-hydroxy-5-nitro-phenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)hexahydropyrimidin-2-one CAS Name: 4-hydroxy-6-(2-hydroxy-5-nitrophenyl)-5-[oxo(thiophen-2-yl)methyl]-4-(trifluoromethyl)-1,3-diazinan-2-one IUPAC Name: 4-hydroxy-6-(2-hydroxy-5-nitrophenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one Traditional Name: 4-hydroxy-6-(2-hydroxy-5-nitro-phenyl)-5-(2-thenoyl)-4-(trifluoromethyl)hexahydropyrimidin-2-one Formula: C16H12F3N3O6S MolecularWeight: 431.34319

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)C2C(NC(=O)NC2(C(F)(F)F)O)C3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CSC(=C1)C(=O)C2C(NC(=O)NC2(C(F)(F)F)O)C3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C16H12F3N3O6S/c17-16(18,19)15(26)11(13(24)10-2-1-5-29-10)12(20-14(25)21-15)8-6-7(22(27)28)3-4-9(8)23/h1-6,11-12,23,26H,(H2,20,21,25)