METHYL 2-NITROIMIDAZOLE-1-ACETATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H7N3O4
Molecular Weight	185.1375
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of METHYL 2-NITROIMIDAZOLE-1-ACETATE

Structure Search

SMILES

COC(=O)CN1C=CN=C1[N+]([O-])=O

InChI

InChIKey=KXEHVMQCOHOQHB-UHFFFAOYSA-N

InChI=1S/C6H7N3O4/c1-13-5(10)4-8-3-2-7-6(8)9(11)12/h2-3H,4H2,1H3

HIDE SMILES / InChI

Molecular Formula	C6H7N3O4
Molecular Weight	185.1375
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 19:16:18 GMT 2025` Edited by `admin` on `Tue Apr 01 19:16:18 GMT 2025`
Record UNII	Z3794V5PR2
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-302986

Preferred Name

English

METHYL 2-NITROIMIDAZOLE-1-ACETATE

Systematic Name

English

IMIDAZOLE-1-ACETIC ACID, 2-NITRO-, METHYL ESTER

Systematic Name

English

1H-IMIDAZOLE-1-ACETIC ACID, 2-NITRO-, METHYL ESTER

Systematic Name

English

METHYL 2-(2-NITRO-1H-IMIDAZOL-1-YL)ACETATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

89851

Created by admin on Tue Apr 01 19:16:18 GMT 2025 , Edited by admin on Tue Apr 01 19:16:18 GMT 2025

PRIMARY

FDA UNII

Z3794V5PR2

Created by admin on Tue Apr 01 19:16:18 GMT 2025 , Edited by admin on Tue Apr 01 19:16:18 GMT 2025

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ECHA (EC/EINECS)

245-243-5

Created by admin on Tue Apr 01 19:16:18 GMT 2025 , Edited by admin on Tue Apr 01 19:16:18 GMT 2025

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CAS

22813-31-6

Created by admin on Tue Apr 01 19:16:18 GMT 2025 , Edited by admin on Tue Apr 01 19:16:18 GMT 2025

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EPA CompTox

DTXSID60177368

Created by admin on Tue Apr 01 19:16:18 GMT 2025 , Edited by admin on Tue Apr 01 19:16:18 GMT 2025

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NSC

302986

Created by admin on Tue Apr 01 19:16:18 GMT 2025 , Edited by admin on Tue Apr 01 19:16:18 GMT 2025

PRIMARY