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

Details

Stereochemistry ACHIRAL
Molecular Formula C4H5N3O2
Molecular Weight 127.1014
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-METHYL-4-NITRO-1H-IMIDAZOLE

SMILES

CN1C=NC(=C1)[N+]([O-])=O

InChI

InChIKey=HSCOLDQJZRZQMV-UHFFFAOYSA-N
InChI=1S/C4H5N3O2/c1-6-2-4(5-3-6)7(8)9/h2-3H,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
1-METHYL-4-NITRO-1H-IMIDAZOLE
Systematic Name English
IMIDAZOLE, 1-METHYL-4-NITRO-
Systematic Name English
METRONIDAZOLE IMPURITY I
Common Name English
1H-IMIDAZOLE, 1-METHYL-4-NITRO-
Systematic Name English
1-METHYL-4-NITROIMIDAZOLE
Systematic Name English
Code System Code Type Description
PUBCHEM
18209
Created by admin on Sat Dec 16 08:27:52 GMT 2023 , Edited by admin on Sat Dec 16 08:27:52 GMT 2023
PRIMARY
CAS
3034-41-1
Created by admin on Sat Dec 16 08:27:52 GMT 2023 , Edited by admin on Sat Dec 16 08:27:52 GMT 2023
PRIMARY
FDA UNII
Z31100A55O
Created by admin on Sat Dec 16 08:27:52 GMT 2023 , Edited by admin on Sat Dec 16 08:27:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID50184425
Created by admin on Sat Dec 16 08:27:52 GMT 2023 , Edited by admin on Sat Dec 16 08:27:52 GMT 2023
PRIMARY