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Details

Stereochemistry ACHIRAL
Molecular Formula C20H22N6O3
Molecular Weight 394.4271
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-[(2-Cyanoethyl)[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]-N-ethylpropanamide

SMILES

CCNC(=O)CCN(CCC#N)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+]([O-])=O

InChI

InChIKey=ZMCMFCFTNCYBBL-WCWDXBQESA-N
InChI=1S/C20H22N6O3/c1-2-22-20(27)12-15-25(14-3-13-21)18-8-4-16(5-9-18)23-24-17-6-10-19(11-7-17)26(28)29/h4-11H,2-3,12,14-15H2,1H3,(H,22,27)/b24-23+

HIDE SMILES / InChI

Molecular Formula C20H22N6O3
Molecular Weight 394.4271
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 18:26:53 GMT 2025
Edited
by admin
on Tue Apr 01 18:26:53 GMT 2025
Record UNII
PEH2LYB37Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PROPANAMIDE, 3-((2-CYANOETHYL)(4-((4-NITROPHENYL)AZO)PHENYL)AMINO)-N-ETHYL-
Preferred Name English
3-[(2-Cyanoethyl)[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]-N-ethylpropanamide
Systematic Name English
Propanamide, 3-[(2-cyanoethyl)[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]-N-ethyl-
Systematic Name English
Code System Code Type Description
CAS
65000-33-1
Created by admin on Tue Apr 01 18:26:53 GMT 2025 , Edited by admin on Tue Apr 01 18:26:53 GMT 2025
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FDA UNII
PEH2LYB37Q
Created by admin on Tue Apr 01 18:26:53 GMT 2025 , Edited by admin on Tue Apr 01 18:26:53 GMT 2025
PRIMARY
EPA CompTox
DTXSID6070146
Created by admin on Tue Apr 01 18:26:53 GMT 2025 , Edited by admin on Tue Apr 01 18:26:53 GMT 2025
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PUBCHEM
103061
Created by admin on Tue Apr 01 18:26:53 GMT 2025 , Edited by admin on Tue Apr 01 18:26:53 GMT 2025
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ECHA (EC/EINECS)
265-303-4
Created by admin on Tue Apr 01 18:26:53 GMT 2025 , Edited by admin on Tue Apr 01 18:26:53 GMT 2025
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