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  • [Synonyms]
    ARONIS021477
    p-Ethoxybenzylidene p-cyanoaniline
    EINECS 246-445-6
    N-(p-Ethoxybenzylidene)-p-aminobenzonitrile
    SBB008340
    ZINC00588062
    FR-1260
    4-((4-Ethoxybenzylidene)amino)benzonitrile
    Benzonitrile, 4-[[(4-ethoxyphenyl)methylene]amino]-
    Benzonitrile, 4-((E)-((4-ethoxyphenyl)methylene)amino)-

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight250.29516 [g/mol]
    Molecular FormulaC16H14N2O
    XLogP3.4
    H-Bond Donor0
    H-Bond Acceptor3
    Rotatable Bond Count4
    Exact Mass250.110613
    MonoIsotopic Mass250.110613
    Topological Polar Surface Area45.4
    Heavy Atom Count19
    Formal Charge0
    Complexity328
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 4-[(4-ethoxyphenyl)methylideneamino]benzonitrile
    Canonical SMILES: CCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C#N
    InChI: InChI=1/C16H14N2O/c1-2-19-16-9-5-14(6-10-16)12-18-15-7-3-13(11-17)4-8-
    15/h3-10,12H,2H2,1H3/b18-12+



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