5-(4-Nitrophenyl)cyclohexane-1,3-dione

Catalog Number	ACM55579754-1
CAS	55579-75-4
Synonyms	1,3-Cyclohexanedione, 5-(4-nitrophenyl)-
IUPAC Name	5-(4-nitrophenyl)cyclohexane-1,3-dione
Molecular Weight	233.22
Molecular Formula	C12H11NO4
Canonical SMILES	C1C(CC(=O)CC1=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI	LQMGHIOOSOQCQA-UHFFFAOYSA-N
InChI Key	InChI=1S/C12H11NO4/c14-11-5-9(6-12(15)7-11)8-1-3-10(4-2-8)13(16)17/h1-4,9H,5-7H2
Purity	97%
Exact Mass	233.06900
Isomeric SMILES	C1C(CC(=O)CC1=O)C2=CC=C(C=C2)[N+](=O)[O-]