3-Amino-4-methyl-5-((3-nitrobenzoyl)amino)benzenesulfonic acid

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H13N3O6S
Molecular Weight	351.335
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Amino-4-methyl-5-((3-nitrobenzoyl)amino)benzenesulfonic acid

Structure Search

SMILES

CC1=C(N)C=C(C=C1NC(=O)C2=CC(=CC=C2)[N+]([O-])=O)S(O)(=O)=O

InChI

InChIKey=FSLAZGAGXHMWNE-UHFFFAOYSA-N

InChI=1S/C14H13N3O6S/c1-8-12(15)6-11(24(21,22)23)7-13(8)16-14(18)9-3-2-4-10(5-9)17(19)20/h2-7H,15H2,1H3,(H,16,18)(H,21,22,23)

HIDE SMILES / InChI

Molecular Formula	C14H13N3O6S
Molecular Weight	351.335
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 `Sat Dec 16 11:52:41 GMT 2023` Edited by `admin` on `Sat Dec 16 11:52:41 GMT 2023`
Record UNII	G9DL9GPE8N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Amino-4-methyl-5-((3-nitrobenzoyl)amino)benzenesulfonic acid

Systematic Name

English

Benzenesulfonic acid, 3-amino-4-methyl-5-((3-nitrobenzoyl)amino)-

Systematic Name

English

NSC-5000

Code

English

Code System Code Type Description

NSC

5000

Created by admin on Sat Dec 16 11:52:41 GMT 2023 , Edited by admin on Sat Dec 16 11:52:41 GMT 2023

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CAS

5401-86-5

Created by admin on Sat Dec 16 11:52:41 GMT 2023 , Edited by admin on Sat Dec 16 11:52:41 GMT 2023

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PUBCHEM

79399

Created by admin on Sat Dec 16 11:52:41 GMT 2023 , Edited by admin on Sat Dec 16 11:52:41 GMT 2023

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FDA UNII

G9DL9GPE8N

Created by admin on Sat Dec 16 11:52:41 GMT 2023 , Edited by admin on Sat Dec 16 11:52:41 GMT 2023

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EPA CompTox

DTXSID3063839

Created by admin on Sat Dec 16 11:52:41 GMT 2023 , Edited by admin on Sat Dec 16 11:52:41 GMT 2023

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