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

Systemtic Name: 3-bromanyl-2-ethyl-5-methoxy-4-propoxy-benzenecarbonitrile ethanoate Openeye Name: 3-bromo-2-ethyl-5-methoxy-4-propoxy-benzonitrile acetate CAS Name: 3-bromo-2-ethyl-5-methoxy-4-propoxybenzonitrile acetate IUPAC Name: 3-bromo-2-ethyl-5-methoxy-4-propoxybenzonitrile acetate Traditional Name: 3-bromo-2-ethyl-5-methoxy-4-propoxy-benzonitrile acetate Formula: C15H19BrNO4- MolecularWeight: 357.21966

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C(=C1Br)CC)C#N)OC.CC(=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C(=C1Br)CC)C#N)OC.CC(=O)[O-]

InChI

InChI=1S/C13H16BrNO2.C2H4O2/c1-4-6-17-13-11(16-3)7-9(8-15)10(5-2)12(13)14;1-2(3)4/h7H,4-6H2,1-3H3;1H3,(H,3,4)/p-1