Compound Identification
SMILES
CC1N=C(C)CC(C2=CC(=CC=C2)[N+]([O-])=O)C1(C(C)=O)C(=O)OCCCl
InChIKey
InChIKey=KFWIJCYBAUZDTB-UHFFFAOYSA-N
Formula
C18H21ClN2O5
Mass
380.83
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 Tetrahydropyridines Beta-keto acids and derivatives Fatty acid esters Carboxylic acid esters Ketimines Ketones Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic zwitterions Organic salts Alkyl chlorides Organochlorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Beta-keto acid - Fatty acid ester - Tetrahydropyridine - Fatty acyl - Hydropyridine - Keto acid - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Ketone - Ketimine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Azacycle - Carboxylic acid derivative - Alkyl chloride - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Imine - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alkyl halide - 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