3-bromanyl-4-butoxy-5-ethoxy-benzenecarbonitrile

Systemtic Name: 3-bromanyl-4-butoxy-5-ethoxy-benzenecarbonitrile Openeye Name: 3-bromo-4-butoxy-5-ethoxy-benzonitrile CAS Name: 3-bromo-4-butoxy-5-ethoxybenzonitrile IUPAC Name: 3-bromo-4-butoxy-5-ethoxybenzonitrile Traditional Name: 3-bromo-4-butoxy-5-ethoxy-benzonitrile Formula: C13H16BrNO2 MolecularWeight: 298.17564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Br)C#N)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Br)C#N)OCC

InChI

InChI=1S/C13H16BrNO2/c1-3-5-6-17-13-11(14)7-10(9-15)8-12(13)16-4-2/h7-8H,3-6H2,1-2H3