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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H7N3O
Molecular Weight 185.1821
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-NITROSOINDOLE-3-ACETONITRILE

SMILES

O=NN1C=C(CC#N)C2=CC=CC=C12

InChI

InChIKey=UOOUHGJOQYHONI-UHFFFAOYSA-N
InChI=1S/C10H7N3O/c11-6-5-8-7-13(12-14)10-4-2-1-3-9(8)10/h1-4,7H,5H2

HIDE SMILES / InChI

Molecular Formula C10H7N3O
Molecular Weight 185.1821
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 Sat Dec 16 08:32:06 GMT 2023
Edited
by admin
on Sat Dec 16 08:32:06 GMT 2023
Record UNII
0S8432KS6R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-NITROSOINDOLE-3-ACETONITRILE
Systematic Name English
NITROSATED INDOLE-3-ACETONITRILE
Common Name English
1H-INDOLE-3-ACETONITRILE, 1-NITROSO-
Systematic Name English
1-NITROSO-1H-INDOLE-3-ACETONITRILE
Systematic Name English
J533.292C
Code English
Code System Code Type Description
PUBCHEM
57273
Created by admin on Sat Dec 16 08:32:06 GMT 2023 , Edited by admin on Sat Dec 16 08:32:06 GMT 2023
PRIMARY
EPA CompTox
DTXSID50243122
Created by admin on Sat Dec 16 08:32:06 GMT 2023 , Edited by admin on Sat Dec 16 08:32:06 GMT 2023
PRIMARY
CAS
97672-08-7
Created by admin on Sat Dec 16 08:32:06 GMT 2023 , Edited by admin on Sat Dec 16 08:32:06 GMT 2023
PRIMARY
FDA UNII
0S8432KS6R
Created by admin on Sat Dec 16 08:32:06 GMT 2023 , Edited by admin on Sat Dec 16 08:32:06 GMT 2023
PRIMARY