2-(2-bromanyl-5-methoxy-phenyl)carbonylbutanenitrile

Systemtic Name: 2-(2-bromanyl-5-methoxy-phenyl)carbonylbutanenitrile Openeye Name: 2-(2-bromo-5-methoxy-benzoyl)butanenitrile CAS Name: 2-[(2-bromo-5-methoxyphenyl)-oxomethyl]butanenitrile IUPAC Name: 2-(2-bromo-5-methoxybenzoyl)butanenitrile Traditional Name: 2-(2-bromo-5-methoxy-benzoyl)butyronitrile Formula: C12H12BrNO2 MolecularWeight: 282.13318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)C(=O)C1=C(C=CC(=C1)OC)Br

Isomeric SMILES

CCC(C#N)C(=O)C1=C(C=CC(=C1)OC)Br

InChI

InChI=1S/C12H12BrNO2/c1-3-8(7-14)12(15)10-6-9(16-2)4-5-11(10)13/h4-6,8H,3H2,1-2H3