Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzenes

Alternative Parents

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

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