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Details

Stereochemistry ACHIRAL
Molecular Formula C11H14N2O6
Molecular Weight 270.2387
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-NITROOXYBUTYL 5-AMINO-2-HYDROXYBENZOATE

SMILES

NC1=CC=C(O)C(=C1)C(=O)OCCCCO[N+]([O-])=O

InChI

InChIKey=NMXIZJLIYYDNJG-UHFFFAOYSA-N
InChI=1S/C11H14N2O6/c12-8-3-4-10(14)9(7-8)11(15)18-5-1-2-6-19-13(16)17/h3-4,7,14H,1-2,5-6,12H2

HIDE SMILES / InChI

Molecular Formula C11H14N2O6
Molecular Weight 270.2387
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 Mon Mar 31 21:49:23 GMT 2025
Edited
by admin
on Mon Mar 31 21:49:23 GMT 2025
Record UNII
SL5YY94ARS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-NITROOXYBUTYL 5-AMINO-2-HYDROXYBENZOATE
Systematic Name English
NCX-456
Preferred Name English
BENZOIC ACID, 5-AMINO-2-HYDROXY-, 4-(NITROOXY)BUTYL ESTER
Systematic Name English
NCX 456
Code English
4-(NITROOXY)BUTYL 5-AMINO-2-HYDROXYBENZOATE
Systematic Name English
Code System Code Type Description
FDA UNII
SL5YY94ARS
Created by admin on Mon Mar 31 21:49:23 GMT 2025 , Edited by admin on Mon Mar 31 21:49:23 GMT 2025
PRIMARY
EPA CompTox
DTXSID80431994
Created by admin on Mon Mar 31 21:49:23 GMT 2025 , Edited by admin on Mon Mar 31 21:49:23 GMT 2025
PRIMARY
PUBCHEM
9860222
Created by admin on Mon Mar 31 21:49:23 GMT 2025 , Edited by admin on Mon Mar 31 21:49:23 GMT 2025
PRIMARY
CAS
256499-26-0
Created by admin on Mon Mar 31 21:49:23 GMT 2025 , Edited by admin on Mon Mar 31 21:49:23 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY