3-bromanyl-2,6-ditert-butyl-4-(cyanomethyl)benzenecarbonitrile

Systemtic Name: 3-bromanyl-2,6-ditert-butyl-4-(cyanomethyl)benzenecarbonitrile Openeye Name: 3-bromo-2,6-ditert-butyl-4-(cyanomethyl)benzonitrile CAS Name: 3-bromo-2,6-ditert-butyl-4-(cyanomethyl)benzonitrile IUPAC Name: 3-bromo-2,6-ditert-butyl-4-(cyanomethyl)benzonitrile Traditional Name: 3-bromo-2,6-ditert-butyl-4-(cyanomethyl)benzonitrile Formula: C17H21BrN2 MolecularWeight: 333.26604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1C#N)C(C)(C)C)Br)CC#N

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1C#N)C(C)(C)C)Br)CC#N

InChI

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