2-(3-bromanyl-5-methoxy-4-propoxy-phenyl)ethanenitrile

Systemtic Name: 2-(3-bromanyl-5-methoxy-4-propoxy-phenyl)ethanenitrile Openeye Name: 2-(3-bromo-5-methoxy-4-propoxy-phenyl)acetonitrile CAS Name: 2-(3-bromo-5-methoxy-4-propoxyphenyl)acetonitrile IUPAC Name: 2-(3-bromo-5-methoxy-4-propoxyphenyl)acetonitrile Traditional Name: 2-(3-bromo-5-methoxy-4-propoxy-phenyl)acetonitrile Formula: C12H14BrNO2 MolecularWeight: 284.14906

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)CC#N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)CC#N)OC

InChI

InChI=1S/C12H14BrNO2/c1-3-6-16-12-10(13)7-9(4-5-14)8-11(12)15-2/h7-8H,3-4,6H2,1-2H3