Structure Information
Structure

Compound Identification

SMILES

CN(C)CCOC(OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O)(C1=CC=CC=C1)C(C)(C)O

InChIKey

InChIKey=YWOBPUMZMRYMEB-UHFFFAOYSA-N

Formula

C21H25N3O8

Mass

447.444

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Nitrobenzoate - Benzoate ester - Benzyloxycarbonyl - Benzylether - Nitrobenzene - Phenylpropane - Nitroaromatic compound - Benzoyl - Ketal - Tertiary alcohol - Amino acid or derivatives - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Tertiary aliphatic amine - Tertiary amine - Acetal - Carboxylic acid derivative - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Amine - Alcohol - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.

External Descriptors

Not available

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