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Details

Stereochemistry ACHIRAL
Molecular Formula C17H13N3O3
Molecular Weight 307.3034
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of AG-1801

SMILES

[O-][N+](=O)C1=CC=C(\C=C(/C#N)C(=O)NCC2=CC=CC=C2)C=C1

InChI

InChIKey=GBMZRAHROINDEX-XNTDXEJSSA-N
InChI=1S/C17H13N3O3/c18-11-15(10-13-6-8-16(9-7-13)20(22)23)17(21)19-12-14-4-2-1-3-5-14/h1-10H,12H2,(H,19,21)/b15-10+

HIDE SMILES / InChI

Molecular Formula C17H13N3O3
Molecular Weight 307.3034
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:00:27 GMT 2023
Edited
by admin
on Sat Dec 16 09:00:27 GMT 2023
Record UNII
WYN000A4MH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AG-1801
Common Name English
2-PROPENAMIDE, 2-CYANO-3-(4-NITROPHENYL)-N-(PHENYLMETHYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
WYN000A4MH
Created by admin on Sat Dec 16 09:00:27 GMT 2023 , Edited by admin on Sat Dec 16 09:00:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID80174354
Created by admin on Sat Dec 16 09:00:27 GMT 2023 , Edited by admin on Sat Dec 16 09:00:27 GMT 2023
PRIMARY
PUBCHEM
681769
Created by admin on Sat Dec 16 09:00:27 GMT 2023 , Edited by admin on Sat Dec 16 09:00:27 GMT 2023
PRIMARY
CAS
204010-55-9
Created by admin on Sat Dec 16 09:00:27 GMT 2023 , Edited by admin on Sat Dec 16 09:00:27 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY