Free Chemical Databases



  • [Synonyms]
    Caribbazoin B
    Ethyl 2-(1-(1,3-dihydro-1,3-dioxo-2H-inden-2-ylidene)methyl)-1-methylhydrazine
    130518-26-2
    Hydrazinecarboxylic acid, 2-((1,3-dihydro-1,3-dioxo-2H-inden-2-ylidene)methyl)-1-methyl-, ethyl ester

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight274.27196 [g/mol]
    Molecular FormulaC14H14N2O4
    XLogP2.4
    H-Bond Donor1
    H-Bond Acceptor5
    Rotatable Bond Count4
    Tautomer Count3
    Exact Mass274.095357
    MonoIsotopic Mass274.095357
    Topological Polar Surface Area75.7
    Heavy Atom Count20
    Formal Charge0
    Complexity432
    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: ethyl N-[(1,3-dioxoinden-2-ylidene)methylamino]-N-methylcarbamate
    Canonical SMILES: CCOC(=O)N(C)NC=C1C(=O)C2=CC=CC=C2C1=O
    InChI: InChI=1/C14H14N2O4/c1-3-20-14(19)16(2)15-8-11-12(17)9-6-4-5-7-10(9)13
    (11)18/h4-8,15H,3H2,1-2H3



Other Chemicals
.15625