2-[[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]benzoicacid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H19Cl2N3O3
Molecular Weight	396.268
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2-[[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]benzoicacid

Structure Search

SMILES

COC1=CC(=CC=C1N(CCCl)CCCl)N=NC2=CC=CC=C2C(O)=O

InChI

InChIKey=FJPCSXLXDDTALC-QURGRASLSA-N

InChI=1S/C18H19Cl2N3O3/c1-26-17-12-13(6-7-16(17)23(10-8-19)11-9-20)21-22-15-5-3-2-4-14(15)18(24)25/h2-7,12H,8-11H2,1H3,(H,24,25)/b22-21+

HIDE SMILES / InChI

Molecular Formula	C18H19Cl2N3O3
Molecular Weight	396.268
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 16:57:34 GMT 2025` Edited by `admin` on `Wed Apr 02 16:57:34 GMT 2025`
Record UNII	VR5DUY9DN5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-240414

Preferred Name

English

2-[[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]benzoicacid

Systematic Name

English

2-[2-[4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]benzoic acid

Systematic Name

English

BENZOIC ACID, 2-(4-BIS(2-CHLOROETHYL)AMINO-3-METHOXY)PHENYLAZO-

Common Name

English

Benzoic acid, 2-[[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]azo]-

Systematic Name

English

Code System Code Type Description

PUBCHEM

38401

Created by admin on Wed Apr 02 16:57:34 GMT 2025 , Edited by admin on Wed Apr 02 16:57:34 GMT 2025

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CAS

40136-93-4

Created by admin on Wed Apr 02 16:57:34 GMT 2025 , Edited by admin on Wed Apr 02 16:57:34 GMT 2025

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FDA UNII

VR5DUY9DN5

Created by admin on Wed Apr 02 16:57:34 GMT 2025 , Edited by admin on Wed Apr 02 16:57:34 GMT 2025

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NSC

240414

Created by admin on Wed Apr 02 16:57:34 GMT 2025 , Edited by admin on Wed Apr 02 16:57:34 GMT 2025

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