3-bromanyl-2,6-ditert-butyl-5-(cyanomethyl)benzenecarbonitrile

Systemtic Name: 3-bromanyl-2,6-ditert-butyl-5-(cyanomethyl)benzenecarbonitrile Openeye Name: 3-bromo-2,6-ditert-butyl-5-(cyanomethyl)benzonitrile CAS Name: 3-bromo-2,6-ditert-butyl-5-(cyanomethyl)benzonitrile IUPAC Name: 3-bromo-2,6-ditert-butyl-5-(cyanomethyl)benzonitrile Traditional Name: 3-bromo-2,6-ditert-butyl-5-(cyanomethyl)benzonitrile Formula: C17H21BrN2 MolecularWeight: 333.26604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=C(C=C1CC#N)Br)C(C)(C)C)C#N

Isomeric SMILES

CC(C)(C)C1=C(C(=C(C=C1CC#N)Br)C(C)(C)C)C#N

InChI

InChI=1S/C17H21BrN2/c1-16(2,3)14-11(7-8-19)9-13(18)15(12(14)10-20)17(4,5)6/h9H,7H2,1-6H3