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Details

Stereochemistry ACHIRAL
Molecular Formula C12H14N4O4
Molecular Weight 278.264
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ETHYL-3-(2-CARBETHOXY-2-CYANOETHENYL)AMINO-1H-PYRAZOLE-4-CARBOXYLATE, (Z)-

SMILES

CCOC(=O)C(=C/NC1=NNC=C1C(=O)OCC)\C#N

InChI

InChIKey=GMGGKDVJSPDXNB-VURMDHGXSA-N
InChI=1S/C12H14N4O4/c1-3-19-11(17)8(5-13)6-14-10-9(7-15-16-10)12(18)20-4-2/h6-7H,3-4H2,1-2H3,(H2,14,15,16)/b8-6-

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
ETHYL-3-(2-CARBETHOXY-2-CYANOETHENYL)AMINO-1H-PYRAZOLE-4-CARBOXYLATE, (Z)-
Systematic Name English
1H-PYRAZOLE-4-CARBOXYLIC ACID, 3-((2-CYANO-3-ETHOXY-3-OXO-1-PROPENYL)AMINO)-, ETHYL ESTER, (Z)-
Systematic Name English
ALLOPURINOL RELATED COMPOUND F, (Z)-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID90200613
Created by admin on Sat Dec 16 05:50:19 GMT 2023 , Edited by admin on Sat Dec 16 05:50:19 GMT 2023
PRIMARY
PUBCHEM
5399055
Created by admin on Sat Dec 16 05:50:19 GMT 2023 , Edited by admin on Sat Dec 16 05:50:19 GMT 2023
PRIMARY
FDA UNII
P25P6E9LTS
Created by admin on Sat Dec 16 05:50:19 GMT 2023 , Edited by admin on Sat Dec 16 05:50:19 GMT 2023
PRIMARY
CAS
52632-18-5
Created by admin on Sat Dec 16 05:50:19 GMT 2023 , Edited by admin on Sat Dec 16 05:50:19 GMT 2023
PRIMARY
NIH
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