Compound Identification
SMILES
NC1=C2C(=CS1)C(=NN(C2=O)C1=CC=C(Cl)C=C1)C(=O)NN=CC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=PIHHQNJJEIKTGP-UHFFFAOYSA-N
Formula
C20H13ClN6O4S
Mass
468.87
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
Thieno[3,4-d]pyridazines Nitroaromatic compounds Pyridazinones Chlorobenzenes 2-aminothiophenes Aryl chlorides Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Organochlorides Primary amines Organic salts Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Thieno[3,4-d]pyridazine - Thienopyridazine - Nitroaromatic compound - Chlorobenzene - Halobenzene - Pyridazinone - Aryl chloride - Aryl halide - Pyridazine - 2-aminothiophene - Heteroaromatic compound - Vinylogous amide - Thiophene - Amino acid or derivatives - Lactam - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic zwitterion - Organohalogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - Organic nitrogen compound - Organic oxide - Organic salt - 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