Compound Identification
SMILES
CC1=C(C)C(NC2=NC3=NON=C3N=C2N\N=C\C2=CC=C(O2)C2=CC(=C(Cl)C=C2)[N+]([O-])=O)=CC=C1
InChIKey
InChIKey=VKOJMTVWLGMEGV-OPEKNORGSA-N
Formula
C23H17ClN8O4
Mass
504.89
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-Xylenes Aniline and substituted anilines Nitroaromatic compounds Aminopyrazines Chlorobenzenes Aryl chlorides Imidolactams Furans Furazans Heteroaromatic compounds Hydrazones Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Secondary amines Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Organochlorides Hydrocarbon derivatives Organooxygen compounds Organic oxides Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Xylene - O-xylene - Aminopyrazine - Halobenzene - Chlorobenzene - Pyrazine - Aryl chloride - Imidolactam - Aryl halide - Furan - Furazan - Oxadiazole - Heteroaromatic compound - Azole - Organic nitro compound - C-nitro compound - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrazone - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxide - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organohalogen compound - Amine - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - 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