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Details

Stereochemistry ACHIRAL
Molecular Formula C11H11NO3
Molecular Weight 205.2099
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Phytoalexine

SMILES

CON1C=C(C(=O)OC)C2=C1C=CC=C2

InChI

InChIKey=JAAYVMHPQAMBJS-UHFFFAOYSA-N
InChI=1S/C11H11NO3/c1-14-11(13)9-7-12(15-2)10-6-4-3-5-8(9)10/h3-7H,1-2H3

HIDE SMILES / InChI

Molecular Formula C11H11NO3
Molecular Weight 205.2099
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 05:46:50 GMT 2025
Edited
by admin
on Wed Apr 02 05:46:50 GMT 2025
Record UNII
8A5KL75GTD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Phytoalexine
Common Name English
1H-Indole-3-carboxylic acid, 1-methoxy-, methyl ester
Preferred Name English
Methyl 1-methoxy-1H-indole-3-carboxylate
Systematic Name English
Indole-3-carboxylic acid, 1-methoxy-, methyl ester
Common Name English
Code System Code Type Description
FDA UNII
8A5KL75GTD
Created by admin on Wed Apr 02 05:46:50 GMT 2025 , Edited by admin on Wed Apr 02 05:46:50 GMT 2025
PRIMARY
PUBCHEM
10465540
Created by admin on Wed Apr 02 05:46:50 GMT 2025 , Edited by admin on Wed Apr 02 05:46:50 GMT 2025
PRIMARY
CAS
18377-50-9
Created by admin on Wed Apr 02 05:46:50 GMT 2025 , Edited by admin on Wed Apr 02 05:46:50 GMT 2025
PRIMARY
EPA CompTox
DTXSID601275200
Created by admin on Wed Apr 02 05:46:50 GMT 2025 , Edited by admin on Wed Apr 02 05:46:50 GMT 2025
PRIMARY