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Details

Stereochemistry ACHIRAL
Molecular Formula C13H11ClN4O3
Molecular Weight 306.704
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Chloroethyl 1,2,3-triazino(5,4-b)indole-4-carboxylaten(3)-oxide

SMILES

CN1C2=C(C=CC=C2)C3=C1C(C(=O)OCCCl)=[N+]([O-])N=N3

InChI

InChIKey=JUWIZCRFZRYYJW-UHFFFAOYSA-N
InChI=1S/C13H11ClN4O3/c1-17-9-5-3-2-4-8(9)10-11(17)12(18(20)16-15-10)13(19)21-7-6-14/h2-5H,6-7H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
2-Chloroethyl 1,2,3-triazino(5,4-b)indole-4-carboxylaten(3)-oxide
Common Name English
5H-1,2,3-Triazino[5,4-b]indole-4-carboxylic acid, 5-methyl-, 2-chloroethyl ester, 3-oxide
Preferred Name English
Code System Code Type Description
EPA CompTox
DTXSID30156903
Created by admin on Mon Mar 31 22:25:09 GMT 2025 , Edited by admin on Mon Mar 31 22:25:09 GMT 2025
PRIMARY
CAS
131119-02-3
Created by admin on Mon Mar 31 22:25:09 GMT 2025 , Edited by admin on Mon Mar 31 22:25:09 GMT 2025
PRIMARY
FDA UNII
YF3UKF6UV4
Created by admin on Mon Mar 31 22:25:09 GMT 2025 , Edited by admin on Mon Mar 31 22:25:09 GMT 2025
PRIMARY
PUBCHEM
148361
Created by admin on Mon Mar 31 22:25:09 GMT 2025 , Edited by admin on Mon Mar 31 22:25:09 GMT 2025
PRIMARY
NIH
NCATS
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