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Details

Stereochemistry ACHIRAL
Molecular Formula C12H15NO4
Molecular Weight 237.2518
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPENTYL 4-NITROBENZOATE

SMILES

CC(C)CCOC(=O)C1=CC=C(C=C1)[N+]([O-])=O

InChI

InChIKey=KMOODDWVCAWHMC-UHFFFAOYSA-N
InChI=1S/C12H15NO4/c1-9(2)7-8-17-12(14)10-3-5-11(6-4-10)13(15)16/h3-6,9H,7-8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H15NO4
Molecular Weight 237.2518
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 17:58:16 GMT 2025
Edited
by admin
on Tue Apr 01 17:58:16 GMT 2025
Record UNII
F8PXU2K9RP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-6031
Preferred Name English
ISOPENTYL 4-NITROBENZOATE
Systematic Name English
1-BUTANOL, 3-METHYL-, 4-NITROBENZOATE
Systematic Name English
3-METHYL-1-BUTYL P-NITROBENZOATE
Systematic Name English
3-METHYLBUTYL 4-NITROBENZOATE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
253-788-5
Created by admin on Tue Apr 01 17:58:16 GMT 2025 , Edited by admin on Tue Apr 01 17:58:16 GMT 2025
PRIMARY
NSC
6031
Created by admin on Tue Apr 01 17:58:16 GMT 2025 , Edited by admin on Tue Apr 01 17:58:16 GMT 2025
PRIMARY
EPA CompTox
DTXSID70191530
Created by admin on Tue Apr 01 17:58:16 GMT 2025 , Edited by admin on Tue Apr 01 17:58:16 GMT 2025
PRIMARY
PUBCHEM
94875
Created by admin on Tue Apr 01 17:58:16 GMT 2025 , Edited by admin on Tue Apr 01 17:58:16 GMT 2025
PRIMARY
FDA UNII
F8PXU2K9RP
Created by admin on Tue Apr 01 17:58:16 GMT 2025 , Edited by admin on Tue Apr 01 17:58:16 GMT 2025
PRIMARY
CAS
38120-06-8
Created by admin on Tue Apr 01 17:58:16 GMT 2025 , Edited by admin on Tue Apr 01 17:58:16 GMT 2025
PRIMARY