Compound Identification
SMILES
CC(C)(C)C1(C)OC(=O)C(=CC2=CC=C(O2)C2=C(Cl)C=CC(=C2)[N+]([O-])=O)C(=O)O1
InChIKey
InChIKey=NQPWLDOMBIFVMS-UHFFFAOYSA-N
Formula
C20H18ClNO7
Mass
419.81
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 Chlorobenzenes Ketals 1,3-dioxanes Aryl chlorides Dicarboxylic acids and derivatives Enoate esters Furans Heteroaromatic compounds Lactones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organic salts Organochlorides Organonitrogen compounds Organopnictogen compounds Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Ketal - Chlorobenzene - Halobenzene - Meta-dioxane - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Heteroaromatic compound - Furan - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Organic nitro compound - Lactone - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Oxacycle - Organoheterocyclic compound - Acetal - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organochloride - Carbonyl group - Organopnictogen compound - Organic salt - Organic cation - 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