1-(3-NITROPHENYL)-5-OXO-4H-PYRAZOLE-3-CARBOXYLIC ACID

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H7N3O5
Molecular Weight	249.1797
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(3-NITROPHENYL)-5-OXO-4H-PYRAZOLE-3-CARBOXYLIC ACID

Structure Search

SMILES

OC(=O)C1=NN(C(=O)C1)C2=CC(=CC=C2)[N+]([O-])=O

InChI

InChIKey=KAUQEIRKYADRME-UHFFFAOYSA-N

InChI=1S/C10H7N3O5/c14-9-5-8(10(15)16)11-12(9)6-2-1-3-7(4-6)13(17)18/h1-4H,5H2,(H,15,16)

HIDE SMILES / InChI

Molecular Formula	C10H7N3O5
Molecular Weight	249.1797
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 19:26:21 GMT 2025` Edited by `admin` on `Tue Apr 01 19:26:21 GMT 2025`
Record UNII	4W8CKH79CD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-9585

Preferred Name

English

1-(3-NITROPHENYL)-5-OXO-4H-PYRAZOLE-3-CARBOXYLIC ACID

Systematic Name

English

1H-PYRAZOLE-3-CARBOXYLIC ACID, 4,5-DIHYDRO-1-(3-NITROPHENYL)-5-OXO-

Common Name

English

4,5-DIHYDRO-1-(3-NITROPHENYL)-5-OXO-1H-PYRAZOLE-3-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

CAS

89-27-0

Created by admin on Tue Apr 01 19:26:21 GMT 2025 , Edited by admin on Tue Apr 01 19:26:21 GMT 2025

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EPA CompTox

DTXSID5058983

Created by admin on Tue Apr 01 19:26:21 GMT 2025 , Edited by admin on Tue Apr 01 19:26:21 GMT 2025

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ECHA (EC/EINECS)

201-893-1

Created by admin on Tue Apr 01 19:26:21 GMT 2025 , Edited by admin on Tue Apr 01 19:26:21 GMT 2025

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FDA UNII

4W8CKH79CD

Created by admin on Tue Apr 01 19:26:21 GMT 2025 , Edited by admin on Tue Apr 01 19:26:21 GMT 2025

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PUBCHEM

66633

Created by admin on Tue Apr 01 19:26:21 GMT 2025 , Edited by admin on Tue Apr 01 19:26:21 GMT 2025

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NSC

9585

Created by admin on Tue Apr 01 19:26:21 GMT 2025 , Edited by admin on Tue Apr 01 19:26:21 GMT 2025

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