5-NITROISOPHTHALDIAMIDE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H7N3O4
Molecular Weight	209.1589
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-NITROISOPHTHALDIAMIDE

Structure Search

SMILES

NC(=O)C1=CC(=CC(=C1)C(N)=O)[N+]([O-])=O

InChI

InChIKey=SDQJTJLJXCWVQR-UHFFFAOYSA-N

InChI=1S/C8H7N3O4/c9-7(12)4-1-5(8(10)13)3-6(2-4)11(14)15/h1-3H,(H2,9,12)(H2,10,13)

HIDE SMILES / InChI

Molecular Formula	C8H7N3O4
Molecular Weight	209.1589
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 17:36:53 GMT 2025` Edited by `admin` on `Tue Apr 01 17:36:53 GMT 2025`
Record UNII	4AKN7V6NEU
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-169681

Preferred Name

English

5-NITROISOPHTHALDIAMIDE

Systematic Name

English

5-NITRO-1,3-BENZENEDICARBOXAMIDE

Systematic Name

English

1,3-BENZENEDICARBOXAMIDE, 5-NITRO-

Systematic Name

English

Code System Code Type Description

NSC

169681

Created by admin on Tue Apr 01 17:36:53 GMT 2025 , Edited by admin on Tue Apr 01 17:36:53 GMT 2025

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ECHA (EC/EINECS)

253-811-9

Created by admin on Tue Apr 01 17:36:53 GMT 2025 , Edited by admin on Tue Apr 01 17:36:53 GMT 2025

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CAS

38177-07-0

Created by admin on Tue Apr 01 17:36:53 GMT 2025 , Edited by admin on Tue Apr 01 17:36:53 GMT 2025

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PUBCHEM

98834

Created by admin on Tue Apr 01 17:36:53 GMT 2025 , Edited by admin on Tue Apr 01 17:36:53 GMT 2025

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FDA UNII

4AKN7V6NEU

Created by admin on Tue Apr 01 17:36:53 GMT 2025 , Edited by admin on Tue Apr 01 17:36:53 GMT 2025

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EPA CompTox

DTXSID5068075

Created by admin on Tue Apr 01 17:36:53 GMT 2025 , Edited by admin on Tue Apr 01 17:36:53 GMT 2025

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