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Details

Stereochemistry ACHIRAL
Molecular Formula C15H17NO6
Molecular Weight 307.2986
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of diethyl 2-[(1,3-benzodioxol-5-ylamino)methylene]malonate

SMILES

CCOC(=O)C(=CNC1=CC=C2OCOC2=C1)C(=O)OCC

InChI

InChIKey=XQBHPGINZRUJMP-UHFFFAOYSA-N
InChI=1S/C15H17NO6/c1-3-19-14(17)11(15(18)20-4-2)8-16-10-5-6-12-13(7-10)22-9-21-12/h5-8,16H,3-4,9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C15H17NO6
Molecular Weight 307.2986
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:11:15 GMT 2023
Edited
by admin
on Sat Dec 16 12:11:15 GMT 2023
Record UNII
T257FST6S5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
diethyl 2-[(1,3-benzodioxol-5-ylamino)methylene]malonate
Systematic Name English
1,3-Diethyl 2-[(1,3-benzodioxol-5-ylamino)methylene]propanedioate
Systematic Name English
diethyl 2-[(1,3-benzodioxol-5-ylamino)methylidene]propanedioate
Systematic Name English
diethyl 2-((benzo[3,4-d]1,3-dioxolan-5-ylamino)methylene)propane-1,3-dioate
Systematic Name English
NSC-332161
Code English
PROPANEDIOIC ACID, ((1,3-BENZODIOXOL-5-YLAMINO)METHYLENE)-, DIETHYL ESTER
Common Name English
Propanedioic acid, [(1,3-benzodioxol-5-ylamino)methylene]-, diethyl ester
Common Name English
Malonic acid, [[3,4-(methylenedioxy)anilino]methylene]-, diethyl ester
Common Name English
2-(Benzo[1,3]dioxol-5-ylaminomethylene)-malonic acid diethyl ester
Common Name English
Code System Code Type Description
CAS
17394-77-3
Created by admin on Sat Dec 16 12:11:15 GMT 2023 , Edited by admin on Sat Dec 16 12:11:15 GMT 2023
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NSC
332161
Created by admin on Sat Dec 16 12:11:15 GMT 2023 , Edited by admin on Sat Dec 16 12:11:15 GMT 2023
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ECHA (EC/EINECS)
241-421-1
Created by admin on Sat Dec 16 12:11:15 GMT 2023 , Edited by admin on Sat Dec 16 12:11:15 GMT 2023
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EPA CompTox
DTXSID7066194
Created by admin on Sat Dec 16 12:11:15 GMT 2023 , Edited by admin on Sat Dec 16 12:11:15 GMT 2023
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FDA UNII
T257FST6S5
Created by admin on Sat Dec 16 12:11:15 GMT 2023 , Edited by admin on Sat Dec 16 12:11:15 GMT 2023
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PUBCHEM
86562
Created by admin on Sat Dec 16 12:11:15 GMT 2023 , Edited by admin on Sat Dec 16 12:11:15 GMT 2023
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