6-Amino-5-[(2-chloro-4-nitrophenyl)azo]-2-[[3-(4-hydroxybutoxy)propyl]amino]-4-methylnicotinonitrile

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H24ClN7O4
Molecular Weight	461.902
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 6-Amino-5-[(2-chloro-4-nitrophenyl)azo]-2-[[3-(4-hydroxybutoxy)propyl]amino]-4-methylnicotinonitrile

Structure Search

SMILES

CC1=C(C#N)C(NCCCOCCCCO)=NC(N)=C1\N=N\C2=CC=C(C=C2Cl)[N+]([O-])=O

InChI

InChIKey=VFCJEFOSAGTGOU-CYYJNZCTSA-N

InChI=1S/C20H24ClN7O4/c1-13-15(12-22)20(24-7-4-10-32-9-3-2-8-29)25-19(23)18(13)27-26-17-6-5-14(28(30)31)11-16(17)21/h5-6,11,29H,2-4,7-10H2,1H3,(H3,23,24,25)/b27-26+

HIDE SMILES / InChI

Molecular Formula	C20H24ClN7O4
Molecular Weight	461.902
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 12:01:48 GMT 2023` Edited by `admin` on `Sat Dec 16 12:01:48 GMT 2023`
Record UNII	5LZR6K2W48
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-Amino-5-[(2-chloro-4-nitrophenyl)azo]-2-[[3-(4-hydroxybutoxy)propyl]amino]-4-methylnicotinonitrile

Systematic Name

English

6-Amino-5-[2-(2-chloro-4-nitrophenyl)diazenyl]-2-[[3-(4-hydroxybutoxy)propyl]amino]-4-methyl-3-pyridinecarbonitrile

Systematic Name

English

3-Pyridinecarbonitrile, 6-amino-5-[2-(2-chloro-4-nitrophenyl)diazenyl]-2-[[3-(4-hydroxybutoxy)propyl]amino]-4-methyl-

Systematic Name

English

3-Pyridinecarbonitrile, 6-amino-5-[(2-chloro-4-nitrophenyl)azo]-2-[[3-(4-hydroxybutoxy)propyl]amino]-4-methyl-

Systematic Name

English

Code System Code Type Description

FDA UNII

5LZR6K2W48