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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H6N2O2
Molecular Weight 198.1775
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-NITRO-1-NAPHTHONITRILE

SMILES

[O-][N+](=O)C1=CC=CC2=C1C=CC=C2C#N

InChI

InChIKey=KBRVGIIHDCBSDO-UHFFFAOYSA-N
InChI=1S/C11H6N2O2/c12-7-8-3-1-5-10-9(8)4-2-6-11(10)13(14)15/h1-6H

HIDE SMILES / InChI

Molecular Formula C11H6N2O2
Molecular Weight 198.1775
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 Fri Dec 15 18:37:13 GMT 2023
Edited
by admin
on Fri Dec 15 18:37:13 GMT 2023
Record UNII
KS79YW3MZA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-NITRO-1-NAPHTHONITRILE
Systematic Name English
5-NITRO-1-NAPHTHALENECARBONITRILE
Systematic Name English
1-NAPHTHONITRILE, 5-NITRO-
Systematic Name English
1-NAPHTHALENECARBONITRILE, 5-NITRO-
Systematic Name English
NITRO-1-NAPHTHALENECARBONITRILE, 5-
Systematic Name English
Code System Code Type Description
CAS
23245-64-9
Created by admin on Fri Dec 15 18:37:13 GMT 2023 , Edited by admin on Fri Dec 15 18:37:13 GMT 2023
PRIMARY
PUBCHEM
31744
Created by admin on Fri Dec 15 18:37:13 GMT 2023 , Edited by admin on Fri Dec 15 18:37:13 GMT 2023
PRIMARY
FDA UNII
KS79YW3MZA
Created by admin on Fri Dec 15 18:37:13 GMT 2023 , Edited by admin on Fri Dec 15 18:37:13 GMT 2023
PRIMARY
EPA CompTox
DTXSID70177819
Created by admin on Fri Dec 15 18:37:13 GMT 2023 , Edited by admin on Fri Dec 15 18:37:13 GMT 2023
PRIMARY