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Details

Stereochemistry ACHIRAL
Molecular Formula C13H13N3O4
Molecular Weight 275.26
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2-Methyl-4-nitro-1H-imidazol-1-yl)ethyl benzoate

SMILES

CC1=NC(=CN1CCOC(=O)C2=CC=CC=C2)[N+]([O-])=O

InChI

InChIKey=BBMOMSXPPYKGBO-UHFFFAOYSA-N
InChI=1S/C13H13N3O4/c1-10-14-12(16(18)19)9-15(10)7-8-20-13(17)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
2-(2-Methyl-4-nitro-1H-imidazol-1-yl)ethyl benzoate
Systematic Name English
1H-Imidazole-1-ethanol, 2-methyl-4-nitro-, benzoate (ester)
Systematic Name English
1H-Imidazole-1-ethanol, 2-methyl-4-nitro-, 1-benzoate
Systematic Name English
Code System Code Type Description
PUBCHEM
13100859
Created by admin on Sat Dec 16 19:55:43 GMT 2023 , Edited by admin on Sat Dec 16 19:55:43 GMT 2023
PRIMARY
FDA UNII
54452WPC6N
Created by admin on Sat Dec 16 19:55:43 GMT 2023 , Edited by admin on Sat Dec 16 19:55:43 GMT 2023
PRIMARY
CAS
87009-72-1
Created by admin on Sat Dec 16 19:55:43 GMT 2023 , Edited by admin on Sat Dec 16 19:55:43 GMT 2023
PRIMARY
NIH
NCATS
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