5-[2-chloranyl-3,5,6-tris(fluoranyl)-4-methyl-phenoxy]-N-methylsulfonyl-2-nitro-benzamide

Systemtic Name: 5-[2-chloranyl-3,5,6-tris(fluoranyl)-4-methyl-phenoxy]-N-methylsulfonyl-2-nitro-benzamide Openeye Name: 5-(2-chloro-3,5,6-trifluoro-4-methyl-phenoxy)-N-methylsulfonyl-2-nitro-benzamide CAS Name: 5-(2-chloro-3,5,6-trifluoro-4-methylphenoxy)-N-methylsulfonyl-2-nitrobenzamide IUPAC Name: 5-(2-chloro-3,5,6-trifluoro-4-methylphenoxy)-N-methylsulfonyl-2-nitrobenzamide Traditional Name: 5-(2-chloro-3,5,6-trifluoro-4-methyl-phenoxy)-N-mesyl-2-nitro-benzamide Formula: C15H10ClF3N2O6S MolecularWeight: 438.76291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)NS(=O)(=O)C)F)F

Isomeric SMILES

CC1=C(C(=C(C(=C1F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)NS(=O)(=O)C)F)F

InChI

InChI=1S/C15H10ClF3N2O6S/c1-6-11(17)10(16)14(13(19)12(6)18)27-7-3-4-9(21(23)24)8(5-7)15(22)20-28(2,25)26/h3-5H,1-2H3,(H,20,22)