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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H16N2O4
Molecular Weight 324.3306
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIMETHYL 9,10-DIHYDRO-9,10-BIIMINOANTHRACENE-11,12-DICARBOXYLATE

SMILES

COC(=O)N1[C@H]2C3=C(C=CC=C3)[C@H](N1C(=O)OC)C4=C2C=CC=C4

InChI

InChIKey=CYYIRSKTFBSVBB-WKILWMFISA-N
InChI=1S/C18H16N2O4/c1-23-17(21)19-15-11-7-3-5-9-13(11)16(20(19)18(22)24-2)14-10-6-4-8-12(14)15/h3-10,15-16H,1-2H3/t15-,16-

HIDE SMILES / InChI

Molecular Formula C18H16N2O4
Molecular Weight 324.3306
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:42:24 GMT 2023
Edited
by admin
on Sat Dec 16 12:42:24 GMT 2023
Record UNII
04G83JK8PV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIMETHYL 9,10-DIHYDRO-9,10-BIIMINOANTHRACENE-11,12-DICARBOXYLATE
Common Name English
9,10-BIIMINOANTHRACENE-11,12-DICARBOXYLIC ACID, 9,10-DIHYDRO-, 11,12-DIMETHYL ESTER
Systematic Name English
ANTHRACENE-9,10-BIIMINE-11,12-DICARBOXYLIC ACID, 9,10-DIHYDRO-, DIMETHYL ESTER
Systematic Name English
NSC-408463
Code English
Code System Code Type Description
FDA UNII
04G83JK8PV
Created by admin on Sat Dec 16 12:42:24 GMT 2023 , Edited by admin on Sat Dec 16 12:42:24 GMT 2023
PRIMARY
PUBCHEM
348943
Created by admin on Sat Dec 16 12:42:24 GMT 2023 , Edited by admin on Sat Dec 16 12:42:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID50168785
Created by admin on Sat Dec 16 12:42:24 GMT 2023 , Edited by admin on Sat Dec 16 12:42:24 GMT 2023
PRIMARY
CAS
17002-07-2
Created by admin on Sat Dec 16 12:42:24 GMT 2023 , Edited by admin on Sat Dec 16 12:42:24 GMT 2023
PRIMARY
NSC
408463
Created by admin on Sat Dec 16 12:42:24 GMT 2023 , Edited by admin on Sat Dec 16 12:42:24 GMT 2023
PRIMARY