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Details

Stereochemistry ACHIRAL
Molecular Formula C18H19N5O4
Molecular Weight 369.3746
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PROPANENITRILE, 3-((2-HYDROXYETHYL)(4-((2-HYDROXY-4-NITROPHENYL)AZO)-3-METHYLPHENYL)AMINO)-

SMILES

CC1=CC(=CC=C1\N=N\C2=C(O)C=C(C=C2)[N+]([O-])=O)N(CCO)CCC#N

InChI

InChIKey=AOMPWZIIJWGZLI-QZQOTICOSA-N
InChI=1S/C18H19N5O4/c1-13-11-14(22(9-10-24)8-2-7-19)3-5-16(13)20-21-17-6-4-15(23(26)27)12-18(17)25/h3-6,11-12,24-25H,2,8-10H2,1H3/b21-20+

HIDE SMILES / InChI

Molecular Formula C18H19N5O4
Molecular Weight 369.3746
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 19:24:27 GMT 2025
Edited
by admin
on Tue Apr 01 19:24:27 GMT 2025
Record UNII
ASR64DA6B7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PROPANENITRILE, 3-((2-HYDROXYETHYL)(4-((2-HYDROXY-4-NITROPHENYL)AZO)-3-METHYLPHENYL)AMINO)-
Preferred Name English
Code System Code Type Description
CAS
13377-98-5
Created by admin on Tue Apr 01 19:24:27 GMT 2025 , Edited by admin on Tue Apr 01 19:24:27 GMT 2025
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FDA UNII
ASR64DA6B7
Created by admin on Tue Apr 01 19:24:27 GMT 2025 , Edited by admin on Tue Apr 01 19:24:27 GMT 2025
PRIMARY
ECHA (EC/EINECS)
236-452-2
Created by admin on Tue Apr 01 19:24:27 GMT 2025 , Edited by admin on Tue Apr 01 19:24:27 GMT 2025
PRIMARY
EPA CompTox
DTXSID1065429
Created by admin on Tue Apr 01 19:24:27 GMT 2025 , Edited by admin on Tue Apr 01 19:24:27 GMT 2025
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