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Details

Stereochemistry RACEMIC
Molecular Formula C17H26N2O4
Molecular Weight 322.3993
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-ETHYLHEXYL 4-(DIMETHYLAMINO)-3-NITROBENZOATE

SMILES

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

InChI

InChIKey=GFQKECYCADMIJF-UHFFFAOYSA-N
InChI=1S/C17H26N2O4/c1-5-7-8-13(6-2)12-23-17(20)14-9-10-15(18(3)4)16(11-14)19(21)22/h9-11,13H,5-8,12H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C17H26N2O4
Molecular Weight 322.3993
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 Sat Dec 16 09:40:52 GMT 2023
Edited
by admin
on Sat Dec 16 09:40:52 GMT 2023
Record UNII
G53XYM313C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-ETHYLHEXYL 4-(DIMETHYLAMINO)-3-NITROBENZOATE
Systematic Name English
4-N,N-DIMETHYLAMINO-3-NITROBENZOIC ACID, 2-ETHYLHEXYL ESTER
Common Name English
BENZOIC ACID, 4-(DIMETHYLAMINO)-3-NITRO-, 2-ETHYLHEXYL ESTER
Systematic Name English
Code System Code Type Description
CAS
134682-95-4
Created by admin on Sat Dec 16 09:40:52 GMT 2023 , Edited by admin on Sat Dec 16 09:40:52 GMT 2023
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PUBCHEM
154447
Created by admin on Sat Dec 16 09:40:52 GMT 2023 , Edited by admin on Sat Dec 16 09:40:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID00928715
Created by admin on Sat Dec 16 09:40:52 GMT 2023 , Edited by admin on Sat Dec 16 09:40:52 GMT 2023
PRIMARY
FDA UNII
G53XYM313C
Created by admin on Sat Dec 16 09:40:52 GMT 2023 , Edited by admin on Sat Dec 16 09:40:52 GMT 2023
PRIMARY