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    2D Structure
    Also known as: 116496-76-5, N-(2-ethoxy-4-nitrophenyl)acetamide, Acetamide,n-(2-ethoxy-4-nitrophenyl)-, 2'-ethoxy-4'-nitroacetanilide, Cds1_004703, Cbmicro_030367
    Molecular Formula
    C10H12N2O4
    Molecular Weight
    224.21  g/mol
    InChI Key
    XZWVZJDHIDYKPB-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-(2-ethoxy-4-nitrophenyl)acetamide
    2.1.2 InChI
    InChI=1S/C10H12N2O4/c1-3-16-10-6-8(12(14)15)4-5-9(10)11-7(2)13/h4-6H,3H2,1-2H3,(H,11,13)
    2.1.3 InChI Key
    XZWVZJDHIDYKPB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 116496-76-5

    2. N-(2-ethoxy-4-nitrophenyl)acetamide

    3. Acetamide,n-(2-ethoxy-4-nitrophenyl)-

    4. 2'-ethoxy-4'-nitroacetanilide

    5. Cds1_004703

    6. Cbmicro_030367

    7. Oprea1_342150

    8. Divk1c_005743

    9. Schembl2204761

    10. Dtxsid60387001

    11. Zinc5061120

    12. Mfcd00994990

    13. Akos001044796

    14. Ab07920

    15. Ps-6223

    16. Bim-0030123.p001

    17. Db-049909

    18. Ft-0715219

    19. Sr-01000223946

    20. Sr-01000223946-1

    21. 4-(4-ethoxycarbonylthiazol-2-yl)piperazine-1-carboxylic Acid Tert-butyl Ester

    2.3 Create Date
    2005-07-29
    3 Chemical and Physical Properties
    Molecular Weight 224.21 g/mol
    Molecular Formula C10H12N2O4
    XLogP31.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass224.07970687 g/mol
    Monoisotopic Mass224.07970687 g/mol
    Topological Polar Surface Area84.2 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity264
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1