3-bromanyl-2-ethyl-5-methoxy-4-propoxy-benzenecarbonitrile

Systemtic Name: 3-bromanyl-2-ethyl-5-methoxy-4-propoxy-benzenecarbonitrile Openeye Name: 3-bromo-2-ethyl-5-methoxy-4-propoxy-benzonitrile CAS Name: 3-bromo-2-ethyl-5-methoxy-4-propoxybenzonitrile IUPAC Name: 3-bromo-2-ethyl-5-methoxy-4-propoxybenzonitrile Traditional Name: 3-bromo-2-ethyl-5-methoxy-4-propoxy-benzonitrile Formula: C13H16BrNO2 MolecularWeight: 298.17564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO2/c1-4-6-17-13-11(16-3)7-9(8-15)10(5-2)12(13)14/h7H,4-6H2,1-3H3