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Details

Stereochemistry ACHIRAL
Molecular Formula C16H11ClN4
Molecular Weight 294.738
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-Chloro-4-[(2-methyl-1H-indol-3-yl)azo]benzonitrile

SMILES

CC1=C(\N=N\C2=CC=C(C#N)C(Cl)=C2)C3=C(N1)C=CC=C3

InChI

InChIKey=LCELEDSEURRAOS-QZQOTICOSA-N
InChI=1S/C16H11ClN4/c1-10-16(13-4-2-3-5-15(13)19-10)21-20-12-7-6-11(9-18)14(17)8-12/h2-8,19H,1H3/b21-20+

HIDE SMILES / InChI

Molecular Formula C16H11ClN4
Molecular Weight 294.738
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 12:34:16 GMT 2023
Edited
by admin
on Sat Dec 16 12:34:16 GMT 2023
Record UNII
7TKF27NL9P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Chloro-4-[(2-methyl-1H-indol-3-yl)azo]benzonitrile
Systematic Name English
Benzonitrile, 2-chloro-4-[2-(2-methyl-1H-indol-3-yl)diazenyl]-
Systematic Name English
2-Chloro-4-[2-(2-methyl-1H-indol-3-yl)diazenyl]benzonitrile
Systematic Name English
Benzonitrile, 2-chloro-4-(2-methylindol-3-ylazo)-
Systematic Name English
Code System Code Type Description
CAS
72953-48-1
Created by admin on Sat Dec 16 12:34:16 GMT 2023 , Edited by admin on Sat Dec 16 12:34:16 GMT 2023
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FDA UNII
7TKF27NL9P
Created by admin on Sat Dec 16 12:34:16 GMT 2023 , Edited by admin on Sat Dec 16 12:34:16 GMT 2023
PRIMARY
ECHA (EC/EINECS)
277-119-1
Created by admin on Sat Dec 16 12:34:16 GMT 2023 , Edited by admin on Sat Dec 16 12:34:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID6072683
Created by admin on Sat Dec 16 12:34:16 GMT 2023 , Edited by admin on Sat Dec 16 12:34:16 GMT 2023
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