Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)C1=CC=C(O1)C=C1SC(N(CC=C)C1=O)=C(C#N)C1=NN=C2CCCCCN12
InChIKey
InChIKey=NBFBAXRJEZCLCG-UHFFFAOYSA-N
Formula
C26H22N6O4S
Mass
514.56
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 Azepines Triazoles Thiazoles Furans Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Nitriles Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Azepine - Azole - Furan - Heteroaromatic compound - Thiazole - 1,2,4-triazole - Lactam - C-nitro compound - Organic nitro compound - Carbonitrile - Nitrile - Organic oxoazanium - Oxacycle - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organopnictogen compound - Cyanide - Organic nitrogen compound - Organic oxide - Organic salt - Hydrocarbon derivative - Organic cation - 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