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    Chemistry

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    Also known as: 1160293-22-0, 2,3-dihydro-3-(methoxyphenylmethylene)-2-oxo-1h-indole-6-carboxylic acid methyl ester, Mfcd28139165, Methyl 3-(methoxy(phenyl)methylene)-2-oxoindoline-6-carboxylate, Schembl1361818, Sb17828
    Molecular Formula
    C18H15NO4
    Molecular Weight
    309.3  g/mol
    InChI Key
    WUVZENIISJMEHI-UHFFFAOYSA-N
    CAS 1160293-22-0
    1 2D Structure

    CAS 1160293-22-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 3-[methoxy(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate
    2.1.2 InChI
    InChI=1S/C18H15NO4/c1-22-16(11-6-4-3-5-7-11)15-13-9-8-12(18(21)23-2)10-14(13)19-17(15)20/h3-10H,1-2H3,(H,19,20)
    2.1.3 InChI Key
    WUVZENIISJMEHI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC(=C1C2=C(C=C(C=C2)C(=O)OC)NC1=O)C3=CC=CC=C3
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1160293-22-0

    2. 2,3-dihydro-3-(methoxyphenylmethylene)-2-oxo-1h-indole-6-carboxylic Acid Methyl Ester

    3. Mfcd28139165

    4. Methyl 3-(methoxy(phenyl)methylene)-2-oxoindoline-6-carboxylate

    5. Schembl1361818

    6. Sb17828

    7. Sb64031

    8. Sb65370

    9. Da-27409

    10. Sy058784

    11. Ft-0773881

    12. Methyl (3z)-3-(methoxy-phenylmethylidene)-2-oxo-1h-indole-6-carboxylate

    13. Methyl (3z)-3-[methoxy(phenyl)methylidene]-2-oxo-1h-indole-6-carboxylate

    2.3 Create Date
    2012-11-30
    3 Chemical and Physical Properties
    Molecular Weight 309.3 g/mol
    Molecular Formula C18H15NO4
    XLogP32.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count4
    Exact Mass309.10010796 g/mol
    Monoisotopic Mass309.10010796 g/mol
    Topological Polar Surface Area64.6 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity507
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count1
    Covalently Bonded Unit Count1

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