Compound Identification
SMILES
COC1=CC=C(NC=C2C=CC(=O)C3=C2OC(N)=C(C#N)C3C2=CC(=CC=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=PTXWHPBQQDUYAB-UHFFFAOYSA-N
Formula
C24H18N4O5
Mass
442.431
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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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
Methoxyanilines Aminophenyl ethers Phenoxy compounds P-quinomethanes Methoxybenzenes Nitroaromatic compounds Anisoles Alkyl aryl ethers Pyrans Vinylogous esters Ketene acetals Organic oxoazanium compounds Allylamines Nitriles Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Secondary amines Enamines Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organopnictogen compounds Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Methoxyaniline - Nitrobenzene - Aminophenyl ether - Nitroaromatic compound - Anisole - P-quinomethane - Phenol ether - Methoxybenzene - Quinomethane - Aniline or substituted anilines - Phenoxy compound - Alkyl aryl ether - Pyran - Vinylogous ester - Ketene acetal or derivatives - Ketone - C-nitro compound - Organic nitro compound - Enamine - Ether - Carbonitrile - Nitrile - Allylamine - Organic oxoazanium - Oxacycle - Organoheterocyclic compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aldehyde - Organic nitrogen compound - Organic salt - Organopnictogen compound - Organic zwitterion - Cyanide - Amine - Organic oxygen compound - Aromatic heteropolycyclic 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