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Also known as: 1160293-24-2, Zinc85577606, Methyl 1-(2-chloroacetyl)-3-(methoxy(phenyl)methylene)-2-oxoindoline-6-carboxylate, Methyl1-(2-chloroacetyl)-3-(methoxy(phenyl)methylene)-2-oxoindoline-6-carboxylate, 1-(2-chloro-acetyl)-3-(methoxy-phenyl-methylene)-2-oxo-2,3-dihydro-1h-indole-6-carboxylic acid methyl ester
Molecular Formula
C20H16ClNO5
Molecular Weight
385.8  g/mol
InChI Key
SGESEGRPYLHYDV-ZCXUNETKSA-N

CAS 1160293-24-2
1 2D Structure

CAS 1160293-24-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl (3Z)-1-(2-chloroacetyl)-3-[methoxy(phenyl)methylidene]-2-oxoindole-6-carboxylate
2.1.2 InChI
InChI=1S/C20H16ClNO5/c1-26-18(12-6-4-3-5-7-12)17-14-9-8-13(20(25)27-2)10-15(14)22(19(17)24)16(23)11-21/h3-10H,11H2,1-2H3/b18-17-
2.1.3 InChI Key
SGESEGRPYLHYDV-ZCXUNETKSA-N
2.1.4 Canonical SMILES
COC(=C1C2=C(C=C(C=C2)C(=O)OC)N(C1=O)C(=O)CCl)C3=CC=CC=C3
2.1.5 Isomeric SMILES
CO/C(=C\1/C2=C(C=C(C=C2)C(=O)OC)N(C1=O)C(=O)CCl)/C3=CC=CC=C3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1160293-24-2

2. Zinc85577606

3. Methyl 1-(2-chloroacetyl)-3-(methoxy(phenyl)methylene)-2-oxoindoline-6-carboxylate

4. Methyl1-(2-chloroacetyl)-3-(methoxy(phenyl)methylene)-2-oxoindoline-6-carboxylate

5. 1-(2-chloro-acetyl)-3-(methoxy-phenyl-methylene)-2-oxo-2,3-dihydro-1h-indole-6-carboxylic Acid Methyl Ester

2.3 Create Date
2015-03-31
3 Chemical and Physical Properties
Molecular Weight 385.8 g/mol
Molecular Formula C20H16ClNO5
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass385.0717003 g/mol
Monoisotopic Mass385.0717003 g/mol
Topological Polar Surface Area72.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity640
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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