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Details

Stereochemistry ACHIRAL
Molecular Formula C20H16ClNO5
Molecular Weight 385.798
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Methyl (3E)-1-(2-chloroacetyl)-2,3-dihydro-3-(methoxyphenylmethylene)-2-oxo-1H-indole-6-carboxylate

SMILES

COC(=O)C1=CC=C2C(=C1)N(C(=O)CCl)C(=O)\C2=C(\OC)C3=CC=CC=C3

InChI

InChIKey=SGESEGRPYLHYDV-ISLYRVAYSA-N
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+

HIDE SMILES / InChI

Molecular Formula C20H16ClNO5
Molecular Weight 385.798
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:21:42 GMT 2025
Edited
by admin
on Wed Apr 02 17:21:42 GMT 2025
Record UNII
T7V8RQ3PJV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(E)-Methyl 1-(2-chloroacetyl)-3-(methoxy(phenyl)methylene)-2-oxoindoline-6-carboxylate
Preferred Name English
Methyl (3E)-1-(2-chloroacetyl)-2,3-dihydro-3-(methoxyphenylmethylene)-2-oxo-1H-indole-6-carboxylate
Systematic Name English
1H-Indole-6-carboxylic acid, 1-(2-chloroacetyl)-2,3-dihydro-3-(methoxyphenylmethylene)-2-oxo-, methyl ester, (3E)-
Systematic Name English
1H-Indole-6-carboxylic acid, 1-(2-chloroacetyl)-2,3-dihydro-3-(methoxyphenylmethylene)-2-oxo-, methyl ester
Systematic Name English
1-(2-Chloroacetyl)-2,3-dihydro-3-(methoxyphenylmethylene)-2-oxo-1H-Indole-6-carboxylic acid methyl ester
Systematic Name English
Methyl 1-(2-chloroacetyl)-2,3-dihydro-3-(methoxyphenylmethylene)-2-oxo-1H-indole-6-carboxylate
Systematic Name English
Code System Code Type Description
FDA UNII
T7V8RQ3PJV
Created by admin on Wed Apr 02 17:21:42 GMT 2025 , Edited by admin on Wed Apr 02 17:21:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID901114037
Created by admin on Wed Apr 02 17:21:42 GMT 2025 , Edited by admin on Wed Apr 02 17:21:42 GMT 2025
PRIMARY
CAS
1174335-83-1
Created by admin on Wed Apr 02 17:21:42 GMT 2025 , Edited by admin on Wed Apr 02 17:21:42 GMT 2025
PRIMARY
CAS
1160293-24-2
Created by admin on Wed Apr 02 17:21:42 GMT 2025 , Edited by admin on Wed Apr 02 17:21:42 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
42634135
Created by admin on Wed Apr 02 17:21:42 GMT 2025 , Edited by admin on Wed Apr 02 17:21:42 GMT 2025
PRIMARY