Compound Identification
SMILES
CC(=O)C1=NN(C2=CC=CC=C2[N+]([O-])=O)C2(CCC(=NN2C2=CC=CC=C2)C2=C(C)C=CC(C)=C2)S1
InChIKey
InChIKey=HNBUVTZLCQQPBK-UHFFFAOYSA-N
Formula
C27H25N5O3S
Mass
499.59
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
p-Xylenes Nitroaromatic compounds Pyridazines and derivatives Thiadiazolines Ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrazones Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - P-xylene - Xylene - Pyridazine - Thiadiazoline - Ketone - C-nitro compound - Organic nitro compound - Hydrazone - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic salt - Carbonyl group - 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