Compound Identification
SMILES
OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O.COC1=CC=CC(OC)=C1CN1CCOCC1
InChIKey
InChIKey=CQGKLBVNSQXDLE-UHFFFAOYSA-N
Formula
C19H22N4O10
Mass
466.403
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
Dimethoxybenzenes Nitrobenzenes Anisoles Benzylamines Nitroaromatic compounds Phenoxy compounds Phenylmethylamines Aralkylamines Alkyl aryl ethers Morpholines Trialkylamines Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Organic oxoazanium compounds Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Not available
Substituents
Nitrophenol - M-dimethoxybenzene - Dimethoxybenzene - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Benzylamine - Methoxybenzene - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Morpholine - Oxazinane - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic 1,3-dipolar compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Dialkyl ether - Organic oxoazanium - Azacycle - Oxacycle - Ether - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Aromatic heteromonocyclic 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