4-AMINO-3,5-DINITROBENZOIC ACID

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H5N3O6
Molecular Weight	227.1311
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-AMINO-3,5-DINITROBENZOIC ACID

Structure Search

SMILES

NC1=C(C=C(C=C1[N+]([O-])=O)C(O)=O)[N+]([O-])=O

InChI

InChIKey=RMVUGEPUWQMQPR-UHFFFAOYSA-N

InChI=1S/C7H5N3O6/c8-6-4(9(13)14)1-3(7(11)12)2-5(6)10(15)16/h1-2H,8H2,(H,11,12)

HIDE SMILES / InChI

Molecular Formula	C7H5N3O6
Molecular Weight	227.1311
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 `Mon Mar 31 23:42:50 GMT 2025` Edited by `admin` on `Mon Mar 31 23:42:50 GMT 2025`
Record UNII	8RWN8R94IC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-127017

Preferred Name

English

4-AMINO-3,5-DINITROBENZOIC ACID

Systematic Name

English

BENZOIC ACID, 4-AMINO-3,5-DINITRO-

Systematic Name

English

Code System Code Type Description

FDA UNII

8RWN8R94IC

Created by admin on Mon Mar 31 23:42:50 GMT 2025 , Edited by admin on Mon Mar 31 23:42:50 GMT 2025

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PUBCHEM

277929

Created by admin on Mon Mar 31 23:42:50 GMT 2025 , Edited by admin on Mon Mar 31 23:42:50 GMT 2025

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NSC

127017

Created by admin on Mon Mar 31 23:42:50 GMT 2025 , Edited by admin on Mon Mar 31 23:42:50 GMT 2025

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CAS

7221-27-4

Created by admin on Mon Mar 31 23:42:50 GMT 2025 , Edited by admin on Mon Mar 31 23:42:50 GMT 2025

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EPA CompTox

DTXSID30992944

Created by admin on Mon Mar 31 23:42:50 GMT 2025 , Edited by admin on Mon Mar 31 23:42:50 GMT 2025

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