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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H9NO7
Molecular Weight 303.2238
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RO-47-1669

SMILES

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

InChI

InChIKey=PVHLUAALTAKWSH-UHFFFAOYSA-N
InChI=1S/C14H9NO7/c16-11-6-9(5-10(13(11)18)15(21)22)12(17)7-1-3-8(4-2-7)14(19)20/h1-6,16,18H,(H,19,20)

HIDE SMILES / InChI

Approval Year

Name Type Language
RO-47-1669
Common Name English
BENZOIC ACID, 4-(3,4-DIHYDROXY-5-NITROBENZOYL)-
Systematic Name English
RO 47-1669
Code English
Code System Code Type Description
PUBCHEM
91800251
Created by admin on Sat Dec 16 09:34:05 GMT 2023 , Edited by admin on Sat Dec 16 09:34:05 GMT 2023
PRIMARY
FDA UNII
4DL71956LF
Created by admin on Sat Dec 16 09:34:05 GMT 2023 , Edited by admin on Sat Dec 16 09:34:05 GMT 2023
PRIMARY
CAS
212902-63-1
Created by admin on Sat Dec 16 09:34:05 GMT 2023 , Edited by admin on Sat Dec 16 09:34:05 GMT 2023
PRIMARY