Home Chemical Formula (2Z)-4-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloropropanoate

Chemical Formula of (2Z)-4-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloropropanoate (C22H18ClNO4)

Identification of (2Z)-4-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloropropanoate Chemical Compound

2D chemical structure image of (2Z)-4-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloropropanoate
Chemical Formula C22H18ClNO4
Molecular Weight 395.83562 g/mol
IUPAC Name (2Z)-4-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloropropanoate
SMILES String CC(Cl)C(=O)Oc2cc(C)c1C(=O)C(Oc1c2)=Cc3cn(C)c4ccccc34
InChI InChI=1S/C22H18ClNO4/c1-12-8-15(27-22(26)13(2)23)10-18-20(12)21(25)19(28-18)9-14-11-24(3)17-7-5-4-6-16(14)17/h4-11,13H,1-3H3/b19-9-
InChIKey FTQUGQZXKMEACR-OCKHKDLRSA-N

Chemical Formula Description

The (2Z)-4-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloropropanoate molecule contains a total of 46 atom(s). There are 18 Hydrogen atom(s), 22 Carbon atom(s), 1 Nitrogen atom(s), 4 Oxygen atom(s) and 1 Chlorine atom(s). A chemical formula of (2Z)-4-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloropropanoate can therefore be written as:

C22H18ClNO4

The chemical formula of (2Z)-4-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloropropanoate shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.

Ball-and-stick model of (2Z)-4-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloropropanoate
Ball-and-stick model of (2Z)-4-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloropropanoate

Additional Information for Identifying (2Z)-4-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloropropanoate Molecule


  • InChI (IUPAC International Chemical Identifier) information of (2Z)-4-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloropropanoate

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of (2Z)-4-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloropropanoate is:

    InChI=1S/C22H18ClNO4/c1-12-8-15(27-22(26)13(2)23)10-18-20(12)21(25)19(28-18)9-14-11-24(3)17-7-5-4-6-16(14)17/h4-11,13H,1-3H3/b19-9-

    It can provide a standard way to encode the molecular information of (2Z)-4-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloropropanoate to facilitate the search for the compound information in databases and on the web.

    The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of (2Z)-4-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloropropanoate is:

    InChIKey=FTQUGQZXKMEACR-OCKHKDLRSA-N

    The InChIKey may allow easier web searches for (2Z)-4-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloropropanoate, but it needs to be linked to the full InChI to get back to the original structure of the (2Z)-4-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloropropanoate since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of (2Z)-4-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloropropanoate

    The (2Z)-4-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloropropanoate compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of (2Z)-4-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloropropanoate including the registry numbers is given below, if available:



    None available.


(2Z)-4-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloropropanoate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of (2Z)-4-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloropropanoate?
C22H18ClNO4
How many atoms and what are they in the (2Z)-4-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloropropanoate structure?
46 atom(s) – 18 Hydrogen atom(s), 22 Carbon atom(s), 1 Nitrogen atom(s), 4 Oxygen atom(s) and 1 Chlorine atom(s)
How many chemical bonds and what are they in the (2Z)-4-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloropropanoate structure?
49 bond(s) – 31 non-H bond(s), 19 multiple bond(s), 4 rotatable bond(s), 3 double bond(s), 16 aromatic bond(s), 2 five-membered ring(s), 2 six-membered ring(s), 2 nine-membered ring(s), 1 ester(s) (aliphatic), 1 ketone(s) (aromatic), 1 ether(s) (aromatic) and 1 Pyrrole(s)
What’s the molecular weight of (2Z)-4-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloropropanoate?
395.83562 g/mol
What’s the SMILES string of (2Z)-4-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloropropanoate?
CC(Cl)C(=O)Oc2cc(C)c1C(=O)C(Oc1c2)=Cc3cn(C)c4ccccc34
What’s the InChI of (2Z)-4-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloropropanoate?
InChI=1S/C22H18ClNO4/c1-12-8-15(27-22(26)13(2)23)10-18-20(12)21(25)19(28-18)9-14-11-24(3)17-7-5-4-6-16(14)17/h4-11,13H,1-3H3/b19-9-
What’s the InChIKey of (2Z)-4-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chloropropanoate?
FTQUGQZXKMEACR-OCKHKDLRSA-N

2 The contents of this page can freely be shared if cited as follows:
Source: Mol-Instincts Chemical Database, Predicted on Quantum.
Please hyperlink "Mol-Instincts" to www.molinstincts.com.