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

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H8N2O2
Molecular Weight 188.1827
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3-Dihydro-3-hydroxy-2-oxo-1H-indole-3-acetonitrile, (3S)-

SMILES

O[C@]1(CC#N)C(=O)NC2=CC=CC=C12

InChI

InChIKey=IXOBWMNTICTXOJ-JTQLQIEISA-N
InChI=1S/C10H8N2O2/c11-6-5-10(14)7-3-1-2-4-8(7)12-9(10)13/h1-4,14H,5H2,(H,12,13)/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H8N2O2
Molecular Weight 188.1827
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:33:00 GMT 2023
Edited
by admin
on Sat Dec 16 15:33:00 GMT 2023
Record UNII
KCY9WZ3DT7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3-Dihydro-3-hydroxy-2-oxo-1H-indole-3-acetonitrile, (3S)-
Systematic Name English
(3S)-2,3-Dihydro-3-hydroxy-2-oxo-1H-indole-3-acetonitrile
Systematic Name English
2-[(3S)-3-Hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]acetonitrile
Systematic Name English
1H-Indole-3-acetonitrile, 2,3-dihydro-3-hydroxy-2-oxo-, (3S)-
Systematic Name English
Code System Code Type Description
FDA UNII
KCY9WZ3DT7
Created by admin on Sat Dec 16 15:33:00 GMT 2023 , Edited by admin on Sat Dec 16 15:33:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID501197794
Created by admin on Sat Dec 16 15:33:00 GMT 2023 , Edited by admin on Sat Dec 16 15:33:00 GMT 2023
PRIMARY
CAS
137761-24-1
Created by admin on Sat Dec 16 15:33:00 GMT 2023 , Edited by admin on Sat Dec 16 15:33:00 GMT 2023
PRIMARY
PUBCHEM
70684366
Created by admin on Sat Dec 16 15:33:00 GMT 2023 , Edited by admin on Sat Dec 16 15:33:00 GMT 2023
PRIMARY