Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=NNC2=NC(=CC(N2)=C2C=CC=CC2=O)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=HZZBMKSTDGRPCG-UHFFFAOYSA-N
Formula
C23H17N5O3
Mass
411.421
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 Hydropyrimidines Vinylogous amides Guanidines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboximidamides Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - O-quinomethane - Quinomethane - Hydropyrimidine - 1,6-dihydropyrimidine - Vinylogous amide - Guanidine - Ketone - C-nitro compound - Cyclic ketone - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Carboximidamide - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic salt - Carbonyl group - 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