Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)C(=CC2=CC=C(O2)C2=C(C=C(Cl)C=C2)[N+]([O-])=O)C#N)SC2=C1CCCC2
InChIKey
InChIKey=LSKRUSWWWOKQFT-UHFFFAOYSA-N
Formula
C25H20ClN3O6S
Mass
525.96
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
Thiophene carboxylic acids and derivatives Nitroaromatic compounds N-arylamides Chlorobenzenes Aryl chlorides Vinylogous amides Furans Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Nitriles Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - N-arylamide - Nitroaromatic compound - Thiophene carboxylic acid or derivatives - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Furan - Heteroaromatic compound - Vinylogous amide - Thiophene - Organic nitro compound - C-nitro compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic salt - Organohalogen compound - Cyanide - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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