1H-ISOINDOLE-1,3(2H)-DIONE, 2-(4-NITROPHENYL)-

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H8N2O4
Molecular Weight	268.2243
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1H-ISOINDOLE-1,3(2H)-DIONE, 2-(4-NITROPHENYL)-

Structure Search

SMILES

[O-][N+](=O)C1=CC=C(C=C1)N2C(=O)C3=C(C=CC=C3)C2=O

InChI

InChIKey=PHBJJKVNDZUAGC-UHFFFAOYSA-N

InChI=1S/C14H8N2O4/c17-13-11-3-1-2-4-12(11)14(18)15(13)9-5-7-10(8-6-9)16(19)20/h1-8H

HIDE SMILES / InChI

Molecular Formula	C14H8N2O4
Molecular Weight	268.2243
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 19:50:05 GMT 2025` Edited by `admin` on `Tue Apr 01 19:50:05 GMT 2025`
Record UNII	MJN47DN89K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1H-ISOINDOLE-1,3(2H)-DIONE, 2-(4-NITROPHENYL)-

Systematic Name

English

NSC-406342

Preferred Name

English

Code System Code Type Description

PUBCHEM

101314

Created by admin on Tue Apr 01 19:50:05 GMT 2025 , Edited by admin on Tue Apr 01 19:50:05 GMT 2025

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NSC

406342

Created by admin on Tue Apr 01 19:50:05 GMT 2025 , Edited by admin on Tue Apr 01 19:50:05 GMT 2025

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EPA CompTox

DTXSID70185494

Created by admin on Tue Apr 01 19:50:05 GMT 2025 , Edited by admin on Tue Apr 01 19:50:05 GMT 2025

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CAS

31604-39-4

Created by admin on Tue Apr 01 19:50:05 GMT 2025 , Edited by admin on Tue Apr 01 19:50:05 GMT 2025

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FDA UNII

MJN47DN89K

Created by admin on Tue Apr 01 19:50:05 GMT 2025 , Edited by admin on Tue Apr 01 19:50:05 GMT 2025

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