Compound Identification
SMILES
NC1=C(C#N)C(=CC(N1)=C1C(=O)C=CC=C1OCC=C)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=ZUHYYYDGTSSOKO-UHFFFAOYSA-N
Formula
C21H16N4O4
Mass
388.383
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
O-quinomethanes Nitroaromatic compounds Dihydropyridines Vinylogous amides Ketene acetals Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - O-quinomethane - Quinomethane - Dihydropyridine - Hydropyridine - Vinylogous amide - Ketene acetal or derivatives - Ketone - C-nitro compound - Cyclic ketone - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Carbonitrile - Nitrile - Organic oxoazanium - Organic oxygen compound - Organic oxide - Cyanide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - Organic zwitterion - Aromatic heteromonocyclic 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