U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C21H16ClN3O3
Molecular Weight 393.823
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(5-CHLOROBENZOXAZOL-2-YL)-7-(DIETHYLAMINO)-2-OXO-2H-1-BENZOPYRAN-4-CARBONITRILE

SMILES

CCN(CC)C1=CC=C2C(OC(=O)C(C3=NC4=CC(Cl)=CC=C4O3)=C2C#N)=C1

InChI

InChIKey=AMMKISDXNUDHFE-UHFFFAOYSA-N
InChI=1S/C21H16ClN3O3/c1-3-25(4-2)13-6-7-14-15(11-23)19(21(26)28-18(14)10-13)20-24-16-9-12(22)5-8-17(16)27-20/h5-10H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C21H16ClN3O3
Molecular Weight 393.823
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:32:15 GMT 2023
Edited
by admin
on Sat Dec 16 12:32:15 GMT 2023
Record UNII
BTZ4GA32EG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(5-CHLOROBENZOXAZOL-2-YL)-7-(DIETHYLAMINO)-2-OXO-2H-1-BENZOPYRAN-4-CARBONITRILE
Systematic Name English
2H-1-BENZOPYRAN-4-CARBONITRILE, 3-(5-CHLORO-2-BENZOXAZOLYL)-7-(DIETHYLAMINO)-2-OXO-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
274-667-3
Created by admin on Sat Dec 16 12:32:15 GMT 2023 , Edited by admin on Sat Dec 16 12:32:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID80220825
Created by admin on Sat Dec 16 12:32:15 GMT 2023 , Edited by admin on Sat Dec 16 12:32:15 GMT 2023
PRIMARY
PUBCHEM
16205230
Created by admin on Sat Dec 16 12:32:15 GMT 2023 , Edited by admin on Sat Dec 16 12:32:15 GMT 2023
PRIMARY
CAS
70546-12-2
Created by admin on Sat Dec 16 12:32:15 GMT 2023 , Edited by admin on Sat Dec 16 12:32:15 GMT 2023
PRIMARY
FDA UNII
BTZ4GA32EG
Created by admin on Sat Dec 16 12:32:15 GMT 2023 , Edited by admin on Sat Dec 16 12:32:15 GMT 2023
PRIMARY