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Details

Stereochemistry ACHIRAL
Molecular Formula C18H24N2O7
Molecular Weight 380.3924
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Triethyl 1-methyl-4-oxo-4,5,6,7-tetrahydropyrrolo(2,3-b)azepine-3,5,8(1H)-tricarboxylate

SMILES

CCOC(=O)C1CCN(C(=O)OCC)C2=C(C(=CN2C)C(=O)OCC)C1=O

InChI

InChIKey=XGLGRPXTVFKPSY-UHFFFAOYSA-N
InChI=1S/C18H24N2O7/c1-5-25-16(22)11-8-9-20(18(24)27-7-3)15-13(14(11)21)12(10-19(15)4)17(23)26-6-2/h10-11H,5-9H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C18H24N2O7
Molecular Weight 380.3924
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 21:25:35 GMT 2025
Edited
by admin
on Wed Apr 02 21:25:35 GMT 2025
Record UNII
6D56SA2KR9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-303246
Preferred Name English
Triethyl 1-methyl-4-oxo-4,5,6,7-tetrahydropyrrolo(2,3-b)azepine-3,5,8(1H)-tricarboxylate
Systematic Name English
Pyrrolo[2,3-b]azepine-3,5,8(1H)-tricarboxylic acid, 4,5,6,7-tetrahydro-1-methyl-4-oxo-, 3,5,8-triethyl ester
Systematic Name English
3,5,8-Triethyl 4,5,6,7-tetrahydro-1-methyl-4-oxopyrrolo[2,3-b]azepine-3,5,8(1H)-tricarboxylate
Systematic Name English
Code System Code Type Description
NSC
303246
Created by admin on Wed Apr 02 21:25:35 GMT 2025 , Edited by admin on Wed Apr 02 21:25:35 GMT 2025
PRIMARY
CAS
77557-55-2
Created by admin on Wed Apr 02 21:25:35 GMT 2025 , Edited by admin on Wed Apr 02 21:25:35 GMT 2025
PRIMARY
FDA UNII
6D56SA2KR9
Created by admin on Wed Apr 02 21:25:35 GMT 2025 , Edited by admin on Wed Apr 02 21:25:35 GMT 2025
PRIMARY
PUBCHEM
327566
Created by admin on Wed Apr 02 21:25:35 GMT 2025 , Edited by admin on Wed Apr 02 21:25:35 GMT 2025
PRIMARY