Compound Identification
SMILES
CC(=O)NC1=NC(C)=C(CCC=CC2=CC=C(C=C2)[N+]([O-])=O)C(Cl)=N1
InChIKey
InChIKey=CRTVOXRBRKSDLA-UHFFFAOYSA-N
Formula
C17H17ClN4O3
Mass
360.8
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
N-acetylarylamines Styrenes Nitroaromatic compounds Halopyrimidines Aryl chlorides Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - N-acetylarylamine - Styrene - N-arylamide - Nitroaromatic compound - Halopyrimidine - Aryl halide - Pyrimidine - Aryl chloride - Heteroaromatic compound - Acetamide - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic salt - Organochloride - Organonitrogen compound - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - 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