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

Details

Stereochemistry RACEMIC
Molecular Formula C11H12N2O5
Molecular Weight 252.2234
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-(HYDROXYMETHYL)-7-NITRO-1,2,3,4-TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID

SMILES

OCC1=CC2=C(NC(CC2)C(O)=O)C=C1[N+]([O-])=O

InChI

InChIKey=AWSHADPERPHMEC-UHFFFAOYSA-N
InChI=1S/C11H12N2O5/c14-5-7-3-6-1-2-8(11(15)16)12-9(6)4-10(7)13(17)18/h3-4,8,12,14H,1-2,5H2,(H,15,16)

HIDE SMILES / InChI

Approval Year

Name Type Language
6-(HYDROXYMETHYL)-7-NITRO-1,2,3,4-TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID
Common Name English
Code System Code Type Description
PUBCHEM
165411938
Created by admin on Sat Dec 16 14:00:05 GMT 2023 , Edited by admin on Sat Dec 16 14:00:05 GMT 2023
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FDA UNII
6RAU27W5MX
Created by admin on Sat Dec 16 14:00:05 GMT 2023 , Edited by admin on Sat Dec 16 14:00:05 GMT 2023
PRIMARY