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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H5NO4
Molecular Weight 191.1403
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-Nitrocoumarin

SMILES

[O-][N+](=O)C1=CC=C2OC(=O)C=CC2=C1

InChI

InChIKey=RMERXEXZXIVNBF-UHFFFAOYSA-N
InChI=1S/C9H5NO4/c11-9-4-1-6-5-7(10(12)13)2-3-8(6)14-9/h1-5H

HIDE SMILES / InChI

Molecular Formula C9H5NO4
Molecular Weight 191.1403
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 12:44:24 GMT 2023
Edited
by admin
on Sat Dec 16 12:44:24 GMT 2023
Record UNII
M32MSC62RG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-Nitrocoumarin
Systematic Name English
6-Nitro-2H-chromen-2-one
Systematic Name English
6-Nitro-2H-1-benzopyran-2-one
Systematic Name English
6-Nitro-2-benzopyrone
Systematic Name English
NSC-46626
Code English
6-Nitrochromen-2-one
Systematic Name English
Coumarin, 6-nitro-
Systematic Name English
2H-1-Benzopyran-2-one, 6-nitro-
Systematic Name English
Code System Code Type Description
PUBCHEM
75944
Created by admin on Sat Dec 16 12:44:24 GMT 2023 , Edited by admin on Sat Dec 16 12:44:24 GMT 2023
PRIMARY
FDA UNII
M32MSC62RG
Created by admin on Sat Dec 16 12:44:24 GMT 2023 , Edited by admin on Sat Dec 16 12:44:24 GMT 2023
PRIMARY
ECHA (EC/EINECS)
220-341-0
Created by admin on Sat Dec 16 12:44:24 GMT 2023 , Edited by admin on Sat Dec 16 12:44:24 GMT 2023
PRIMARY
NSC
46626
Created by admin on Sat Dec 16 12:44:24 GMT 2023 , Edited by admin on Sat Dec 16 12:44:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID80181705
Created by admin on Sat Dec 16 12:44:24 GMT 2023 , Edited by admin on Sat Dec 16 12:44:24 GMT 2023
PRIMARY
CAS
2725-81-7
Created by admin on Sat Dec 16 12:44:24 GMT 2023 , Edited by admin on Sat Dec 16 12:44:24 GMT 2023
PRIMARY