Compound Identification
SMILES
CC1=CC2=C(C(C3=CC=C(O3)C3=C(Cl)C=CC(=C3)[N+]([O-])=O)C(C#N)=C(N)O2)C(=O)O1
InChIKey
InChIKey=GRAAQCIPBXYPCX-UHFFFAOYSA-N
Formula
C20H12ClN3O6
Mass
425.78
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
Nitroaromatic compounds Pyranones and derivatives Chlorobenzenes Aryl chlorides Vinylogous esters Furans Heteroaromatic compounds Ketene acetals Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Nitriles Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Pyranone - Aryl chloride - Aryl halide - Pyran - Furan - Heteroaromatic compound - Vinylogous ester - Ketene acetal or derivatives - Lactone - Organic nitro compound - C-nitro compound - Oxacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organohalogen compound - Organic salt - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - 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