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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

SMILES

COC1=C(C=CC(=C1)N=NC2=C(C=CC=C2)C(O)=O)N(CCCl)CCCl

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 Sat Dec 16 19:33:56 GMT 2023
Edited
by admin
on Sat Dec 16 19:33:56 GMT 2023
Record UNII
VR5DUY9DN5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]benzoicacid
Systematic Name English
NSC-240414
Code 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 Sat Dec 16 19:33:56 GMT 2023 , Edited by admin on Sat Dec 16 19:33:56 GMT 2023
PRIMARY
CAS
40136-93-4
Created by admin on Sat Dec 16 19:33:56 GMT 2023 , Edited by admin on Sat Dec 16 19:33:56 GMT 2023
PRIMARY
FDA UNII
VR5DUY9DN5
Created by admin on Sat Dec 16 19:33:56 GMT 2023 , Edited by admin on Sat Dec 16 19:33:56 GMT 2023
PRIMARY
NSC
240414
Created by admin on Sat Dec 16 19:33:56 GMT 2023 , Edited by admin on Sat Dec 16 19:33:56 GMT 2023
PRIMARY