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Details

Stereochemistry ACHIRAL
Molecular Formula C17H18ClN3O2
Molecular Weight 331.797
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-((4-(N-(2-CHLOROETHYL)METHYLAMINO)-2-METHYLPHENYL)AZO)BENZOIC ACID

SMILES

CN(CCCl)C1=CC=C(\N=N\C2=CC=CC=C2C(O)=O)C(C)=C1

InChI

InChIKey=FONSTHKLWINFKT-FMQUCBEESA-N
InChI=1S/C17H18ClN3O2/c1-12-11-13(21(2)10-9-18)7-8-15(12)19-20-16-6-4-3-5-14(16)17(22)23/h3-8,11H,9-10H2,1-2H3,(H,22,23)/b20-19+

HIDE SMILES / InChI

Molecular Formula C17H18ClN3O2
Molecular Weight 331.797
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 Fri Dec 15 17:18:01 GMT 2023
Edited
by admin
on Fri Dec 15 17:18:01 GMT 2023
Record UNII
EF62L6Q76V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-((4-(N-(2-CHLOROETHYL)METHYLAMINO)-2-METHYLPHENYL)AZO)BENZOIC ACID
Systematic Name English
2-(4-(N-(2-CHLOROETHYL)-N-METHYLAMINO)-2-METHYLPHENYL)-AZOBENZOIC ACID
Systematic Name English
CHLOROETHYL)-N-METHYLAMINO)-2-METHYLPHENYL)-AZOBENZOIC ACID, 2-(4-(N-(2-
Common Name English
BENZOIC ACID, 2-((4-(N-(2-CHLOROETHYL)METHYLAMINO)-2-METHYLPHENYL)AZO)-
Systematic Name English
NSC-240413
Code English
BENZOIC ACID, 2-((4-((2-CHLOROETHYL)METHYLAMINO)-2-METHYLPHENYL)AZO)-
Systematic Name English
Code System Code Type Description
CAS
38115-54-7
Created by admin on Fri Dec 15 17:18:01 GMT 2023 , Edited by admin on Fri Dec 15 17:18:01 GMT 2023
PRIMARY
FDA UNII
EF62L6Q76V
Created by admin on Fri Dec 15 17:18:01 GMT 2023 , Edited by admin on Fri Dec 15 17:18:01 GMT 2023
PRIMARY
NSC
240413
Created by admin on Fri Dec 15 17:18:01 GMT 2023 , Edited by admin on Fri Dec 15 17:18:01 GMT 2023
PRIMARY