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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H11NO6
Molecular Weight 289.2402
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RO-47-1868

SMILES

OCC1=CC=C(C=C1)C(=O)C2=CC(=C(O)C(O)=C2)[N+]([O-])=O

InChI

InChIKey=IIZHHVRWGKCZNC-UHFFFAOYSA-N
InChI=1S/C14H11NO6/c16-7-8-1-3-9(4-2-8)13(18)10-5-11(15(20)21)14(19)12(17)6-10/h1-6,16-17,19H,7H2

HIDE SMILES / InChI

Approval Year

Name Type Language
RO-47-1868
Common Name English
METHANONE, (3,4-DIHYDROXY-5-NITROPHENYL)(4-(HYDROXYMETHYL)PHENYL)-
Systematic Name English
RO 47-1868
Code English
Code System Code Type Description
FDA UNII
D834O1MPXP
Created by admin on Sat Dec 16 09:48:30 GMT 2023 , Edited by admin on Sat Dec 16 09:48:30 GMT 2023
PRIMARY
PUBCHEM
91800246
Created by admin on Sat Dec 16 09:48:30 GMT 2023 , Edited by admin on Sat Dec 16 09:48:30 GMT 2023
PRIMARY
CAS
254912-15-7
Created by admin on Sat Dec 16 09:48:30 GMT 2023 , Edited by admin on Sat Dec 16 09:48:30 GMT 2023
PRIMARY