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Details

Stereochemistry RACEMIC
Molecular Formula C22H29NO3
Molecular Weight 355.4706
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(1,1-DIMETHYLETHYL)-4-(4-(4-ETHOXYPHENYL)-3-NITROBUTYL)BENZENE

SMILES

CCOC1=CC=C(CC(CCC2=CC=C(C=C2)C(C)(C)C)[N+]([O-])=O)C=C1

InChI

InChIKey=FOBQLKXWQANTKP-UHFFFAOYSA-N
InChI=1S/C22H29NO3/c1-5-26-21-14-9-18(10-15-21)16-20(23(24)25)13-8-17-6-11-19(12-7-17)22(2,3)4/h6-7,9-12,14-15,20H,5,8,13,16H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C22H29NO3
Molecular Weight 355.4706
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:07:44 GMT 2025
Edited
by admin
on Mon Mar 31 22:07:44 GMT 2025
Record UNII
M3HO30KN7B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZENE, 1-(1,1-DIMETHYLETHYL)-4-(4-(4-ETHOXYPHENYL)-3-NITROBUTYL)-
Preferred Name English
1-(1,1-DIMETHYLETHYL)-4-(4-(4-ETHOXYPHENYL)-3-NITROBUTYL)BENZENE
Systematic Name English
Code System Code Type Description
FDA UNII
M3HO30KN7B
Created by admin on Mon Mar 31 22:07:44 GMT 2025 , Edited by admin on Mon Mar 31 22:07:44 GMT 2025
PRIMARY
CAS
69815-48-1
Created by admin on Mon Mar 31 22:07:44 GMT 2025 , Edited by admin on Mon Mar 31 22:07:44 GMT 2025
PRIMARY
EPA CompTox
DTXSID90867846
Created by admin on Mon Mar 31 22:07:44 GMT 2025 , Edited by admin on Mon Mar 31 22:07:44 GMT 2025
PRIMARY
PUBCHEM
44154445
Created by admin on Mon Mar 31 22:07:44 GMT 2025 , Edited by admin on Mon Mar 31 22:07:44 GMT 2025
PRIMARY