Compound Identification
SMILES
COC1=CC=C(CC(NNC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)=C2C=CC(=O)C=C2)C=C1
InChIKey
InChIKey=CPSQOPDRTYTFHA-UHFFFAOYSA-N
Formula
C21H18N4O6
Mass
422.397
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Phenylhydrazines Phenoxy compounds P-quinomethanes Nitroaromatic compounds Methoxybenzenes Anisoles Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Hydrazines and derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Anisole - P-quinomethane - Phenol ether - Phenylhydrazine - Quinomethane - Methoxybenzene - Nitroaromatic compound - Phenoxy compound - Alkyl aryl ether - C-nitro compound - Ketone - Organic nitro compound - Cyclic ketone - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Ether - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic salt - Hydrazine derivative - Organic oxygen compound - Organooxygen compound - Organic zwitterion - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available