Compound Identification
SMILES
COC1=CC=CC(OC)=C1CN1CCCC1.OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=NTCAWRCUMDUPRQ-UHFFFAOYSA-N
Formula
C19H22N4O9
Mass
450.404
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 N-alkylpyrrolidines Trialkylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Not available
Substituents
Nitrophenol - Dimethoxybenzene - M-dimethoxybenzene - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzylamine - Phenol ether - Methoxybenzene - Anisole - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - N-alkylpyrrolidine - Pyrrolidine - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Azacycle - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxide - Organic salt - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic cation - 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