N-[4-bromanyl-2-(trifluoromethyl)phenyl]-5-tert-butyl-2-methyl-3-nitro-6-oxidanyl-benzamide

Systemtic Name: N-[4-bromanyl-2-(trifluoromethyl)phenyl]-5-tert-butyl-2-methyl-3-nitro-6-oxidanyl-benzamide Openeye Name: N-[4-bromo-2-(trifluoromethyl)phenyl]-3-tert-butyl-2-hydroxy-6-methyl-5-nitro-benzamide CAS Name: N-[4-bromo-2-(trifluoromethyl)phenyl]-3-tert-butyl-2-hydroxy-6-methyl-5-nitrobenzamide IUPAC Name: N-[4-bromo-2-(trifluoromethyl)phenyl]-3-tert-butyl-2-hydroxy-6-methyl-5-nitrobenzamide Traditional Name: N-[4-bromo-2-(trifluoromethyl)phenyl]-3-tert-butyl-2-hydroxy-6-methyl-5-nitro-benzamide Formula: C19H18BrF3N2O4 MolecularWeight: 475.25643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1C(=O)NC2=C(C=C(C=C2)Br)C(F)(F)F)O)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C(=C1C(=O)NC2=C(C=C(C=C2)Br)C(F)(F)F)O)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H18BrF3N2O4/c1-9-14(25(28)29)8-12(18(2,3)4)16(26)15(9)17(27)24-13-6-5-10(20)7-11(13)19(21,22)23/h5-8,26H,1-4H3,(H,24,27)