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Details

Stereochemistry ACHIRAL
Molecular Formula C17H19NO3
Molecular Weight 285.3377
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(1,1-DIMETHYLPROPYL)-4-(2-NITROPHENOXY)BENZENE

SMILES

CCC(C)(C)C1=CC=C(OC2=CC=CC=C2[N+]([O-])=O)C=C1

InChI

InChIKey=GEJOEGDFPKMVEQ-UHFFFAOYSA-N
InChI=1S/C17H19NO3/c1-4-17(2,3)13-9-11-14(12-10-13)21-16-8-6-5-7-15(16)18(19)20/h5-12H,4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C17H19NO3
Molecular Weight 285.3377
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 Tue Apr 01 18:52:46 GMT 2025
Edited
by admin
on Tue Apr 01 18:52:46 GMT 2025
Record UNII
Y397TH9DAN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(1,1-DIMETHYLPROPYL)-4-(2-NITROPHENOXY)BENZENE
Systematic Name English
1-(4-(1,1-DIMETHYLPROPYL)PHENOXY)-2-NITROBENZENE
Preferred Name English
BENZENE, 1-(4-(1,1-DIMETHYLPROPYL)PHENOXY)-2-NITRO-
Systematic Name English
BENZENE, 1-(1,1-DIMETHYLPROPYL)-4-(2-NITROPHENOXY)-
Systematic Name English
1-(4-(2-METHYLBUTAN-2-YL)PHENOXY)-2-NITROBENZENE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10240076
Created by admin on Tue Apr 01 18:52:46 GMT 2025 , Edited by admin on Tue Apr 01 18:52:46 GMT 2025
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CAS
93980-93-9
Created by admin on Tue Apr 01 18:52:46 GMT 2025 , Edited by admin on Tue Apr 01 18:52:46 GMT 2025
PRIMARY
PUBCHEM
3023148
Created by admin on Tue Apr 01 18:52:46 GMT 2025 , Edited by admin on Tue Apr 01 18:52:46 GMT 2025
PRIMARY
FDA UNII
Y397TH9DAN
Created by admin on Tue Apr 01 18:52:46 GMT 2025 , Edited by admin on Tue Apr 01 18:52:46 GMT 2025
PRIMARY
ECHA (EC/EINECS)
301-073-4
Created by admin on Tue Apr 01 18:52:46 GMT 2025 , Edited by admin on Tue Apr 01 18:52:46 GMT 2025
PRIMARY