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Details

Stereochemistry ACHIRAL
Molecular Formula C12H11N3O4
Molecular Weight 261.2334
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIMETHYL 2-METHYL-1,6A,6B-TRIAZACYCLOPENTA(CD)PENTALENE-3,4-DICARBOXYLATE

SMILES

COC(=O)C1=C2C=CN3N=C(C)C(N23)=C1C(=O)OC

InChI

InChIKey=DAHUOPADRWXKHV-UHFFFAOYSA-N
InChI=1S/C12H11N3O4/c1-6-10-9(12(17)19-3)8(11(16)18-2)7-4-5-14(13-6)15(7)10/h4-5H,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
NSC-335659
Preferred Name English
DIMETHYL 2-METHYL-1,6A,6B-TRIAZACYCLOPENTA(CD)PENTALENE-3,4-DICARBOXYLATE
Systematic Name English
1,6A,6B-TRIAZACYCLOPENTA(CD)PENTALENE-3,4-DICARBOXYLIC ACID, 2-METHYL-, DIMETHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
ABA9B787IJ
Created by admin on Tue Apr 01 20:02:06 GMT 2025 , Edited by admin on Tue Apr 01 20:02:06 GMT 2025
PRIMARY
EPA CompTox
DTXSID80986474
Created by admin on Tue Apr 01 20:02:06 GMT 2025 , Edited by admin on Tue Apr 01 20:02:06 GMT 2025
PRIMARY
NSC
335659
Created by admin on Tue Apr 01 20:02:06 GMT 2025 , Edited by admin on Tue Apr 01 20:02:06 GMT 2025
PRIMARY
PUBCHEM
333550
Created by admin on Tue Apr 01 20:02:06 GMT 2025 , Edited by admin on Tue Apr 01 20:02:06 GMT 2025
PRIMARY
CAS
67279-91-8
Created by admin on Tue Apr 01 20:02:06 GMT 2025 , Edited by admin on Tue Apr 01 20:02:06 GMT 2025
PRIMARY
NIH
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