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Details

Stereochemistry ACHIRAL
Molecular Formula C18H16N4O4
Molecular Weight 352.344
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of LUGDUNAME

SMILES

OC(=O)CN\C(NC1=CC=C(C=C1)C#N)=N\CC2=C3OCOC3=CC=C2

InChI

InChIKey=IHKGGKRBWGTNNG-UHFFFAOYSA-N
InChI=1S/C18H16N4O4/c19-8-12-4-6-14(7-5-12)22-18(21-10-16(23)24)20-9-13-2-1-3-15-17(13)26-11-25-15/h1-7H,9-11H2,(H,23,24)(H2,20,21,22)

HIDE SMILES / InChI

Molecular Formula C18H16N4O4
Molecular Weight 352.344
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 Sat Dec 16 17:03:37 GMT 2023
Edited
by admin
on Sat Dec 16 17:03:37 GMT 2023
Record UNII
832G2PE2QQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LUGDUNAME
Common Name English
2-[[N'-(1,3-BENZODIOXOL-4-YLMETHYL)-N-(4-CYANOPHENYL)CARBAMIMIDOYL]AMINO]ACETIC ACID
Systematic Name English
GLYCINE, N-(((1,3-BENZODIOXOL-4-YLMETHYL)AMINO)((4-CYANOPHENYL)AMINO)METHYLENE)-
Systematic Name English
N-(((1,3-BENZODIOXOL-4-YLMETHYL)IMINO)((4-CYANOPHENYL)AMINO)METHYL)GLYCINE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20726659
Created by admin on Sat Dec 16 17:03:37 GMT 2023 , Edited by admin on Sat Dec 16 17:03:37 GMT 2023
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FDA UNII
832G2PE2QQ
Created by admin on Sat Dec 16 17:03:37 GMT 2023 , Edited by admin on Sat Dec 16 17:03:37 GMT 2023
PRIMARY
CAS
180045-75-4
Created by admin on Sat Dec 16 17:03:37 GMT 2023 , Edited by admin on Sat Dec 16 17:03:37 GMT 2023
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WIKIPEDIA
Lugduname
Created by admin on Sat Dec 16 17:03:37 GMT 2023 , Edited by admin on Sat Dec 16 17:03:37 GMT 2023
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PUBCHEM
57459281
Created by admin on Sat Dec 16 17:03:37 GMT 2023 , Edited by admin on Sat Dec 16 17:03:37 GMT 2023
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