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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H8F3N3O2
Molecular Weight 271.1953
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Methyl-1-[3-nitro-5-(trifluoromethyl)phenyl]-1H-imidazole

SMILES

CC1=CN(C=N1)C2=CC(=CC(=C2)[N+]([O-])=O)C(F)(F)F

InChI

InChIKey=JMLCVCGQBRZYOZ-UHFFFAOYSA-N
InChI=1S/C11H8F3N3O2/c1-7-5-16(6-15-7)9-2-8(11(12,13)14)3-10(4-9)17(18)19/h2-6H,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
4-Methyl-1-[3-nitro-5-(trifluoromethyl)phenyl]-1H-imidazole
Systematic Name English
1H-Imidazole, 4-methyl-1-[3-nitro-5-(trifluoromethyl)phenyl]-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80589949
Created by admin on Sat Dec 16 19:28:41 GMT 2023 , Edited by admin on Sat Dec 16 19:28:41 GMT 2023
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FDA UNII
BR76KC6BSK
Created by admin on Sat Dec 16 19:28:41 GMT 2023 , Edited by admin on Sat Dec 16 19:28:41 GMT 2023
PRIMARY
CAS
916975-92-3
Created by admin on Sat Dec 16 19:28:41 GMT 2023 , Edited by admin on Sat Dec 16 19:28:41 GMT 2023
PRIMARY
PUBCHEM
17748206
Created by admin on Sat Dec 16 19:28:41 GMT 2023 , Edited by admin on Sat Dec 16 19:28:41 GMT 2023
PRIMARY