N-[4-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-methyl-butanoyl]amino]-5-chloranyl-3-nitro-2-oxidanyl-phenyl]-2,3,4,5,6-pentakis(fluoranyl)benzamide

Systemtic Name: N-[4-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-methyl-butanoyl]amino]-5-chloranyl-3-nitro-2-oxidanyl-phenyl]-2,3,4,5,6-pentakis(fluoranyl)benzamide Openeye Name: N-[4-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-3-methyl-butanoyl]amino]-5-chloro-2-hydroxy-3-nitro-phenyl]-2,3,4,5,6-pentafluoro-benzamide CAS Name: N-[4-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-methyl-1-oxobutyl]amino]-5-chloro-2-hydroxy-3-nitrophenyl]-2,3,4,5,6-pentafluorobenzamide IUPAC Name: N-[4-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-methylbutanoyl]amino]-5-chloro-2-hydroxy-3-nitrophenyl]-2,3,4,5,6-pentafluorobenzamide Traditional Name: N-[5-chloro-4-[[2-(2,4-ditert-amylphenoxy)-3-methyl-butanoyl]amino]-2-hydroxy-3-nitro-phenyl]-2,3,4,5,6-pentafluoro-benzamide Formula: C34H37ClF5N3O6 MolecularWeight: 714.119096

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OC(C(C)C)C(=O)NC2=C(C=C(C(=C2[N+](=O)[O-])O)NC(=O)C3=C(C(=C(C(=C3F)F)F)F)F)Cl)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OC(C(C)C)C(=O)NC2=C(C=C(C(=C2[N+](=O)[O-])O)NC(=O)C3=C(C(=C(C(=C3F)F)F)F)F)Cl)C(C)(C)CC

InChI

InChI=1S/C34H37ClF5N3O6/c1-9-33(5,6)16-11-12-20(17(13-16)34(7,8)10-2)49-30(15(3)4)32(46)42-27-18(35)14-19(29(44)28(27)43(47)48)41-31(45)21-22(36)24(38)26(40)25(39)23(21)37/h11-15,30,44H,9-10H2,1-8H3,(H,41,45)(H,42,46)