Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(COCC(=O)CCl)C=C1
InChIKey
InChIKey=QBEDICXAZBUPQT-UHFFFAOYSA-N
Formula
C10H10ClNO4
Mass
243.64
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
Benzylethers Nitroaromatic compounds Alpha-chloroketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkyl ethers Organonitrogen compounds Organochlorides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzylether - Nitrobenzene - Nitroaromatic compound - Alpha-haloketone - Alpha-chloroketone - Ketone - Organic nitro compound - C-nitro compound - Dialkyl ether - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Alkyl chloride - Organonitrogen compound - Organochloride - Organooxygen compound - Organohalogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alkyl halide - 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