5-bromanyl-3-methoxy-2-pentoxy-benzenecarbonitrile

Systemtic Name: 5-bromanyl-3-methoxy-2-pentoxy-benzenecarbonitrile Openeye Name: 5-bromo-3-methoxy-2-pentoxy-benzonitrile CAS Name: 5-bromo-3-methoxy-2-pentoxybenzonitrile IUPAC Name: 5-bromo-3-methoxy-2-pentoxybenzonitrile Traditional Name: 2-amoxy-5-bromo-3-methoxy-benzonitrile Formula: C13H16BrNO2 MolecularWeight: 298.17564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1C#N)Br)OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1C#N)Br)OC

InChI

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