3-bromanyl-4-butoxy-5-methoxy-benzenecarbonitrile

Systemtic Name: 3-bromanyl-4-butoxy-5-methoxy-benzenecarbonitrile Openeye Name: 3-bromo-4-butoxy-5-methoxy-benzonitrile CAS Name: 3-bromo-4-butoxy-5-methoxybenzonitrile IUPAC Name: 3-bromo-4-butoxy-5-methoxybenzonitrile Traditional Name: 3-bromo-4-butoxy-5-methoxy-benzonitrile Formula: C12H14BrNO2 MolecularWeight: 284.14906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrNO2/c1-3-4-5-16-12-10(13)6-9(8-14)7-11(12)15-2/h6-7H,3-5H2,1-2H3