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Details

Stereochemistry ACHIRAL
Molecular Formula C14H12N4O4.ClH
Molecular Weight 336.73
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Nitrophenyl 4-[(aminoiminomethyl)amino]benzoate hydrochloride

SMILES

Cl.NC(=N)NC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)[N+]([O-])=O

InChI

InChIKey=PKSBDZOBYIKNGY-UHFFFAOYSA-N
InChI=1S/C14H12N4O4.ClH/c15-14(16)17-10-3-1-9(2-4-10)13(19)22-12-7-5-11(6-8-12)18(20)21;/h1-8H,(H4,15,16,17);1H

HIDE SMILES / InChI

Molecular Formula C14H12N4O4
Molecular Weight 300.2695
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
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 19:09:42 GMT 2025
Edited
by admin
on Tue Apr 01 19:09:42 GMT 2025
Record UNII
55PR33QR6J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Nitrophenyl 4-[(aminoiminomethyl)amino]benzoate hydrochloride
Systematic Name English
NSC-163801
Preferred Name English
Code System Code Type Description
EPA CompTox
DTXSID20172652
Created by admin on Tue Apr 01 19:09:42 GMT 2025 , Edited by admin on Tue Apr 01 19:09:42 GMT 2025
PRIMARY
ECHA (EC/EINECS)
242-831-3
Created by admin on Tue Apr 01 19:09:42 GMT 2025 , Edited by admin on Tue Apr 01 19:09:42 GMT 2025
PRIMARY
NSC
163801
Created by admin on Tue Apr 01 19:09:42 GMT 2025 , Edited by admin on Tue Apr 01 19:09:42 GMT 2025
PRIMARY
CAS
19135-17-2
Created by admin on Tue Apr 01 19:09:42 GMT 2025 , Edited by admin on Tue Apr 01 19:09:42 GMT 2025
PRIMARY
PUBCHEM
2853494
Created by admin on Tue Apr 01 19:09:42 GMT 2025 , Edited by admin on Tue Apr 01 19:09:42 GMT 2025
PRIMARY
FDA UNII
55PR33QR6J
Created by admin on Tue Apr 01 19:09:42 GMT 2025 , Edited by admin on Tue Apr 01 19:09:42 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE