Compound Identification
SMILES
CC1=CC(=CNCCCNC2=C(Cl)C=C(C=C2)[N+]([O-])=O)C(=O)C=C1
InChIKey
InChIKey=RMCRTEJRRZBHKQ-UHFFFAOYSA-N
Formula
C17H18ClN3O3
Mass
347.8
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
Phenylalkylamines Aniline and substituted anilines O-quinomethanes Nitroaromatic compounds Secondary alkylarylamines Chlorobenzenes Aryl chlorides Vinylogous amides Propargyl-type 1,3-dipolar organic compounds Allylamines Organic oxoazanium compounds Dialkylamines Enamines Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - O-quinomethane - Phenylalkylamine - Aniline or substituted anilines - Quinomethane - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Vinylogous amide - Ketone - C-nitro compound - Organic nitro compound - Cyclic ketone - Organic 1,3-dipolar compound - Secondary aliphatic amine - Enamine - Allylamine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - Organic salt - Organic nitrogen compound - Aromatic homomonocyclic 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