2-[(2-Cyanoethyl)[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]ethyl N-butylcarbamate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H26N6O4
Molecular Weight	438.4796
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2-[(2-Cyanoethyl)[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]ethyl N-butylcarbamate

Structure Search

SMILES

CCCCNC(=O)OCCN(CCC#N)C1=CC=C(C=C1)\N=N\C2=CC=C(C=C2)[N+]([O-])=O

InChI

InChIKey=WFDRYDMTWFOSCK-OCEACIFDSA-N

InChI=1S/C22H26N6O4/c1-2-3-14-24-22(29)32-17-16-27(15-4-13-23)20-9-5-18(6-10-20)25-26-19-7-11-21(12-8-19)28(30)31/h5-12H,2-4,14-17H2,1H3,(H,24,29)/b26-25+

HIDE SMILES / InChI

Molecular Formula	C22H26N6O4
Molecular Weight	438.4796
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 `Sat Dec 16 12:36:25 GMT 2023` Edited by `admin` on `Sat Dec 16 12:36:25 GMT 2023`
Record UNII	X9CS9ZY32L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-[(2-Cyanoethyl)[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]ethyl N-butylcarbamate

Systematic Name

English

Carbamic acid, N-butyl-, 2-[(2-cyanoethyl)[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]ethyl ester

Common Name

English

Carbamic acid, butyl-, 2-[(2-cyanoethyl)[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl ester

Common Name

English

Code System Code Type Description

ECHA (EC/EINECS)

262-842-7

Created by admin on Sat Dec 16 12:36:25 GMT 2023 , Edited by admin on Sat Dec 16 12:36:25 GMT 2023

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EPA CompTox

DTXSID9069479

Created by admin on Sat Dec 16 12:36:25 GMT 2023 , Edited by admin on Sat Dec 16 12:36:25 GMT 2023

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CAS

61556-47-6

Created by admin on Sat Dec 16 12:36:25 GMT 2023 , Edited by admin on Sat Dec 16 12:36:25 GMT 2023

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FDA UNII

X9CS9ZY32L

Created by admin on Sat Dec 16 12:36:25 GMT 2023 , Edited by admin on Sat Dec 16 12:36:25 GMT 2023

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