U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C20H17NO5
Molecular Weight 351.3527
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

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

SMILES

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

InChI

InChIKey=IAELOHNWFVWCNO-ZCXUNETKSA-N
InChI=1S/C20H17NO5/c1-12(22)21-16-11-14(20(24)26-3)9-10-15(16)17(19(21)23)18(25-2)13-7-5-4-6-8-13/h4-11H,1-3H3/b18-17-

HIDE SMILES / InChI

Molecular Formula C20H17NO5
Molecular Weight 351.3527
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 Sat Dec 16 19:34:00 GMT 2023
Edited
by admin
on Sat Dec 16 19:34:00 GMT 2023
Record UNII
H9E4K68DCV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl (3Z)-1-acetyl-2,3-dihydro-3-(methoxyphenylmethylene)-2-oxo-1H-indole-6-carboxylate
Systematic Name English
1H-Indole-6-carboxylic acid, 1-acetyl-2,3-dihydro-3-(methoxyphenylmethylene)-2-oxo-, methyl ester, (3Z)-
Systematic Name English
Code System Code Type Description
CAS
1253769-13-9
Created by admin on Sat Dec 16 19:34:00 GMT 2023 , Edited by admin on Sat Dec 16 19:34:00 GMT 2023
PRIMARY
PUBCHEM
118430741
Created by admin on Sat Dec 16 19:34:00 GMT 2023 , Edited by admin on Sat Dec 16 19:34:00 GMT 2023
PRIMARY
FDA UNII
H9E4K68DCV
Created by admin on Sat Dec 16 19:34:00 GMT 2023 , Edited by admin on Sat Dec 16 19:34:00 GMT 2023
PRIMARY