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

Systemtic Name: N-[4-[(4-bromophenyl)-cyano-methyl]-3-(trifluoromethyl)phenyl]-5-tert-butyl-2-methyl-3-nitro-6-oxidanyl-benzamide Openeye Name: N-[4-[(4-bromophenyl)-cyano-methyl]-3-(trifluoromethyl)phenyl]-3-tert-butyl-2-hydroxy-6-methyl-5-nitro-benzamide CAS Name: N-[4-[(4-bromophenyl)-cyanomethyl]-3-(trifluoromethyl)phenyl]-3-tert-butyl-2-hydroxy-6-methyl-5-nitrobenzamide IUPAC Name: N-[4-[(4-bromophenyl)-cyanomethyl]-3-(trifluoromethyl)phenyl]-3-tert-butyl-2-hydroxy-6-methyl-5-nitrobenzamide Traditional Name: N-[4-[(4-bromophenyl)-cyano-methyl]-3-(trifluoromethyl)phenyl]-3-tert-butyl-2-hydroxy-6-methyl-5-nitro-benzamide Formula: C27H23BrF3N3O4 MolecularWeight: 590.38843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1C(=O)NC2=CC(=C(C=C2)C(C#N)C3=CC=C(C=C3)Br)C(F)(F)F)O)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C(=C1C(=O)NC2=CC(=C(C=C2)C(C#N)C3=CC=C(C=C3)Br)C(F)(F)F)O)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C27H23BrF3N3O4/c1-14-22(34(37)38)12-21(26(2,3)4)24(35)23(14)25(36)33-17-9-10-18(20(11-17)27(29,30)31)19(13-32)15-5-7-16(28)8-6-15/h5-12,19,35H,1-4H3,(H,33,36)