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Details

Stereochemistry ACHIRAL
Molecular Formula C18H17N2O3.Br
Molecular Weight 389.243
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-(2-Carboxyethyl)-2-[2-(phenylamino)vinyl]benzoxazolium bromide

SMILES

[Br-].OC(=O)CC[N+]1=C(OC2=CC=CC=C12)\C=C\NC3=CC=CC=C3

InChI

InChIKey=AAALAKZAIRHZIX-UHFFFAOYSA-N
InChI=1S/C18H16N2O3.BrH/c21-18(22)11-13-20-15-8-4-5-9-16(15)23-17(20)10-12-19-14-6-2-1-3-7-14;/h1-10,12H,11,13H2,(H,21,22);1H

HIDE SMILES / InChI

Approval Year

Name Type Language
3-(2-Carboxyethyl)-2-[2-(phenylamino)vinyl]benzoxazolium bromide
Systematic Name English
3-[2-(2-anilinoethenyl)-1,3-benzoxazol-3-ium-3-yl]propanoic acid;bromide
Systematic Name English
2-(2-Anilinovinyl)-3-(2-carboxyethyl)benzoxazolium bromide
Systematic Name English
Benzoxazolium, 3-(2-carboxyethyl)-2-[2-(phenylamino)ethenyl]-, bromide
Systematic Name English
Benzoxazolium, 3-(2-carboxyethyl)-2-[2-(phenylamino)ethenyl]-, bromide (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
109493
Created by admin on Sat Dec 16 20:09:38 GMT 2023 , Edited by admin on Sat Dec 16 20:09:38 GMT 2023
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CAS
68123-41-1
Created by admin on Sat Dec 16 20:09:38 GMT 2023 , Edited by admin on Sat Dec 16 20:09:38 GMT 2023
PRIMARY
FDA UNII
CXD4MWP4VW
Created by admin on Sat Dec 16 20:09:38 GMT 2023 , Edited by admin on Sat Dec 16 20:09:38 GMT 2023
PRIMARY