Compound Identification
SMILES
Br.[Br-].C[N+]12CCN(CC1)CCC2.OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=PGKAVJYDQHPGOB-UHFFFAOYSA-M
Formula
C14H21Br2N5O7
Mass
531.158
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
- Subclass Nitrophenols
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Nitrophenols
Intermediate Tree Nodes
Not available
Direct Parent
Nitrophenols
Alternative Parents
Nitrobenzenes Nitroaromatic compounds N-methylpiperazines 1,4-diazepanes Tetraalkylammonium salts Trialkylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organooxygen compounds Organic oxides Organic bromide salts Hydrocarbon derivatives Hydrobromides Organic cations
Molecular Framework
Not available
Substituents
Nitrophenol - Nitrobenzene - Nitroaromatic compound - 1,4-diazepane - Diazepane - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Monocyclic benzene moiety - Tetraalkylammonium salt - Quaternary ammonium salt - Organic nitro compound - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrobromide - Amine - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.
External Descriptors
Not available