N-(4-bromanyl-2,6-dimethyl-phenyl)-4-cyano-benzamide

Systemtic Name: N-(4-bromanyl-2,6-dimethyl-phenyl)-4-cyano-benzamide Openeye Name: N-(4-bromo-2,6-dimethyl-phenyl)-4-cyano-benzamide CAS Name: N-(4-bromo-2,6-dimethylphenyl)-4-cyanobenzamide IUPAC Name: N-(4-bromo-2,6-dimethylphenyl)-4-cyanobenzamide Traditional Name: N-(4-bromo-2,6-dimethyl-phenyl)-4-cyano-benzamide Formula: C16H13BrN2O MolecularWeight: 329.19122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)C2=CC=C(C=C2)C#N)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)C2=CC=C(C=C2)C#N)C)Br

InChI

InChI=1S/C16H13BrN2O/c1-10-7-14(17)8-11(2)15(10)19-16(20)13-5-3-12(9-18)4-6-13/h3-8H,1-2H3,(H,19,20)