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Details

Stereochemistry ACHIRAL
Molecular Formula C22H24N4O6
Molecular Weight 440.4492
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2-((3-NITROPHENYL)CARBONYLAMINO)-1-(3-OXIDANYLPROPYL)BENZIMIDAZOL-5-YL) 2,2-DIMETHYLPROPANOATE

SMILES

CC(C)(C)C(=O)OC1=CC=C2N(CCCO)C(NC(=O)C3=CC=CC(=C3)[N+]([O-])=O)=NC2=C1

InChI

InChIKey=CEAYRKIZESVQSN-UHFFFAOYSA-N
InChI=1S/C22H24N4O6/c1-22(2,3)20(29)32-16-8-9-18-17(13-16)23-21(25(18)10-5-11-27)24-19(28)14-6-4-7-15(12-14)26(30)31/h4,6-9,12-13,27H,5,10-11H2,1-3H3,(H,23,24,28)

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
PubMed

PubMed

TitleDatePubMed
Name Type Language
(2-((3-NITROPHENYL)CARBONYLAMINO)-1-(3-OXIDANYLPROPYL)BENZIMIDAZOL-5-YL) 2,2-DIMETHYLPROPANOATE
Systematic Name English
3-NITRO-N-(1-(3-HYDROXYPROPYL)-5-(2,2-DIMETHYLPROPIONYLOXY)-1H-BENZIMIDAZOL-2-YL)BENZAMIDE
Systematic Name English
PROPANOIC ACID, 2,2-DIMETHYL-, 1-(3-HYDROXYPROPYL)-2-((3-NITROBENZOYL)AMINO)-1H-BENZIMIDAZOL-5-YL ESTER
Systematic Name English
1-(3-HYDROXYPROPYL)-2-((3-NITROBENZOYL)AMINO)-1H-BENZIMIDAZOL-5-YL 2,2-DIMETHYLPROPANOATE
Systematic Name English
Code System Code Type Description
PUBCHEM
11987888
Created by admin on Sat Dec 16 16:36:17 GMT 2023 , Edited by admin on Sat Dec 16 16:36:17 GMT 2023
PRIMARY
CAS
509093-60-1
Created by admin on Sat Dec 16 16:36:17 GMT 2023 , Edited by admin on Sat Dec 16 16:36:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID30475262
Created by admin on Sat Dec 16 16:36:17 GMT 2023 , Edited by admin on Sat Dec 16 16:36:17 GMT 2023
PRIMARY
FDA UNII
QOL8WS9UXV
Created by admin on Sat Dec 16 16:36:17 GMT 2023 , Edited by admin on Sat Dec 16 16:36:17 GMT 2023
PRIMARY