4-[bis(fluoranyl)methylsulfanyl]-N-[(5-nitro-2-oxidanyl-phenyl)methyl]benzamide

Systemtic Name: 4-[bis(fluoranyl)methylsulfanyl]-N-[(5-nitro-2-oxidanyl-phenyl)methyl]benzamide Openeye Name: 4-(difluoromethylsulfanyl)-N-[(2-hydroxy-5-nitro-phenyl)methyl]benzamide CAS Name: 4-(difluoromethylthio)-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide IUPAC Name: 4-(difluoromethylsulfanyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide Traditional Name: 4-(difluoromethylthio)-N-(2-hydroxy-5-nitro-benzyl)benzamide Formula: C15H12F2N2O4S MolecularWeight: 354.328586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)SC(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)SC(F)F

InChI

InChI=1S/C15H12F2N2O4S/c16-15(17)24-12-4-1-9(2-5-12)14(21)18-8-10-7-11(19(22)23)3-6-13(10)20/h1-7,15,20H,8H2,(H,18,21)