Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(\CC1=CC=C(C=C1)[N+]([O-])=O)=C1/[C@H](C2=CC=C(Cl)C=C2)C1(C)C

InChIKey

InChIKey=XIFKWKHXCDOQCM-GHNGSUTGSA-N

Formula

C21H20ClNO4

Mass

385.84

Export to:

JSON SDF CSV

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 homomonocyclic compounds

Substituents

Nitrobenzene - Nitroaromatic compound - Halobenzene - Chlorobenzene - Fatty acid ester - Aryl chloride - Aryl halide - Fatty acyl - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic cation - 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

Previous Back Next