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Details

Stereochemistry ACHIRAL
Molecular Formula C12H11NO5
Molecular Weight 249.2194
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (E)-6-(3-NITROPHENYL)-4-OXOHEX-5-ENOIC ACID

SMILES

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

InChI

InChIKey=VBUVBQVVUXMCTD-SNAWJCMRSA-N
InChI=1S/C12H11NO5/c14-11(6-7-12(15)16)5-4-9-2-1-3-10(8-9)13(17)18/h1-5,8H,6-7H2,(H,15,16)/b5-4+

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
(E)-6-(3-NITROPHENYL)-4-OXOHEX-5-ENOIC ACID
Systematic Name English
NSC-81134
Code English
5-HEXENOIC ACID, 6-(M-NITROPHENYL)-4-OXO-
Common Name English
6-(3-NITROPHENYL)-4-OXO-5-HEXENOIC ACID
Systematic Name English
.DELTA.-HEXENOIC ACID, .GAMMA.-KETO-.EPSILON.-(M-NITROPHENYL)-
Systematic Name English
Code System Code Type Description
NSC
81134
Created by admin on Sat Dec 16 12:58:25 GMT 2023 , Edited by admin on Sat Dec 16 12:58:25 GMT 2023
PRIMARY
CAS
74038-57-6
Created by admin on Sat Dec 16 12:58:25 GMT 2023 , Edited by admin on Sat Dec 16 12:58:25 GMT 2023
PRIMARY
PUBCHEM
5357568
Created by admin on Sat Dec 16 12:58:25 GMT 2023 , Edited by admin on Sat Dec 16 12:58:25 GMT 2023
PRIMARY
FDA UNII
7ZEB1F75L8
Created by admin on Sat Dec 16 12:58:25 GMT 2023 , Edited by admin on Sat Dec 16 12:58:25 GMT 2023
PRIMARY
NIH
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