N-(2-bromanyl-5-cyano-phenyl)-3-tert-butyl-4-cyano-6-methyl-2-oxidanyl-benzamide

Systemtic Name: N-(2-bromanyl-5-cyano-phenyl)-3-tert-butyl-4-cyano-6-methyl-2-oxidanyl-benzamide Openeye Name: N-(2-bromo-5-cyano-phenyl)-3-tert-butyl-4-cyano-2-hydroxy-6-methyl-benzamide CAS Name: N-(2-bromo-5-cyanophenyl)-3-tert-butyl-4-cyano-2-hydroxy-6-methylbenzamide IUPAC Name: N-(2-bromo-5-cyanophenyl)-3-tert-butyl-4-cyano-2-hydroxy-6-methylbenzamide Traditional Name: N-(2-bromo-5-cyano-phenyl)-3-tert-butyl-4-cyano-2-hydroxy-6-methyl-benzamide Formula: C20H18BrN3O2 MolecularWeight: 412.27982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C#N)C(C)(C)C)O)C(=O)NC2=C(C=CC(=C2)C#N)Br

Isomeric SMILES

CC1=C(C(=C(C(=C1)C#N)C(C)(C)C)O)C(=O)NC2=C(C=CC(=C2)C#N)Br

InChI

InChI=1S/C20H18BrN3O2/c1-11-7-13(10-23)17(20(2,3)4)18(25)16(11)19(26)24-15-8-12(9-22)5-6-14(15)21/h5-8,25H,1-4H3,(H,24,26)