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Details

Stereochemistry ACHIRAL
Molecular Formula C15H17N3O4
Molecular Weight 303.3132
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Methyl 5-(acetylamino)-2-[(2-cyanoethenyl)amino]-4-ethoxybenzoate

SMILES

CCOC1=C(NC(C)=O)C=C(C(=O)OC)C(N\C=C\C#N)=C1

InChI

InChIKey=OEJAMJYEHJNEQO-FNORWQNLSA-N
InChI=1S/C15H17N3O4/c1-4-22-14-9-12(17-7-5-6-16)11(15(20)21-3)8-13(14)18-10(2)19/h5,7-9,17H,4H2,1-3H3,(H,18,19)/b7-5+

HIDE SMILES / InChI

Molecular Formula C15H17N3O4
Molecular Weight 303.3132
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 Wed Apr 02 12:08:29 GMT 2025
Edited
by admin
on Wed Apr 02 12:08:29 GMT 2025
Record UNII
J92T4QA5WS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 5-(acetylamino)-2-[(2-cyanoethenyl)amino]-4-ethoxybenzoate
Systematic Name English
Benzoic acid, 5-(acetylamino)-2-[(2-cyanoethenyl)amino]-4-ethoxy-, methyl ester
Preferred Name English
Methyl 5-(acetylamino)-2-[[(1E)-2-cyanoethenyl]amino]-4-ethoxybenzoate
Systematic Name English
Benzoic acid, 5-(acetylamino)-2-[[(1E)-2-cyanoethenyl]amino]-4-ethoxy-, methyl ester
Systematic Name English
Code System Code Type Description
CAS
1801882-06-3
Created by admin on Wed Apr 02 12:08:29 GMT 2025 , Edited by admin on Wed Apr 02 12:08:29 GMT 2025
PRIMARY
CAS
1222172-50-0
Created by admin on Wed Apr 02 12:08:29 GMT 2025 , Edited by admin on Wed Apr 02 12:08:29 GMT 2025
PRIMARY
FDA UNII
J92T4QA5WS
Created by admin on Wed Apr 02 12:08:29 GMT 2025 , Edited by admin on Wed Apr 02 12:08:29 GMT 2025
PRIMARY
EPA CompTox
DTXSID90717973
Created by admin on Wed Apr 02 12:08:29 GMT 2025 , Edited by admin on Wed Apr 02 12:08:29 GMT 2025
PRIMARY
PUBCHEM
56605206
Created by admin on Wed Apr 02 12:08:29 GMT 2025 , Edited by admin on Wed Apr 02 12:08:29 GMT 2025
PRIMARY