3-bromanyl-4-(cyanomethyl)-2-(2-methylpropyl)benzenecarbonitrile

Systemtic Name: 3-bromanyl-4-(cyanomethyl)-2-(2-methylpropyl)benzenecarbonitrile Openeye Name: 3-bromo-4-(cyanomethyl)-2-isobutyl-benzonitrile CAS Name: 3-bromo-4-(cyanomethyl)-2-(2-methylpropyl)benzonitrile IUPAC Name: 3-bromo-4-(cyanomethyl)-2-(2-methylpropyl)benzonitrile Traditional Name: 3-bromo-4-(cyanomethyl)-2-isobutyl-benzonitrile Formula: C13H13BrN2 MolecularWeight: 277.15972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1Br)CC#N)C#N

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1Br)CC#N)C#N

InChI

InChI=1S/C13H13BrN2/c1-9(2)7-12-11(8-16)4-3-10(5-6-15)13(12)14/h3-4,9H,5,7H2,1-2H3