DIMETHYL 2-METHYL-1,6A,6B-TRIAZACYCLOPENTA(CD)PENTALENE-3,4-DICARBOXYLATE

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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

Structure Search

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

Molecular Formula	C12H11N3O4
Molecular Weight	261.2334
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 `Tue Apr 01 20:02:06 GMT 2025` Edited by `admin` on `Tue Apr 01 20:02:06 GMT 2025`
Record UNII	ABA9B787IJ
Record Status	`Validated (UNII)`
Record Version

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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

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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

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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

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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

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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

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