Structure Information
Structure

Compound Identification

SMILES

CCOC1=C(C=C(C(O)=O)C(NC=CC#N)=C1)[N+]([O-])=O

InChIKey

InChIKey=YWPWPHMZZABGOB-UHFFFAOYSA-N

Formula

C12H11N3O5

Mass

277.236

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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 - Nitrophenyl ether - Aminobenzoic acid - Aminobenzoic acid or derivatives - Aminophenyl ether - Benzoic acid - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Benzoyl - Aniline or substituted anilines - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Vinylogous amide - C-nitro compound - Organic nitro compound - Amino acid - Amino acid or derivatives - Allylamine - Carboxylic acid derivative - Carboxylic acid - Enamine - Ether - Carbonitrile - Nitrile - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Cyanide - Organic oxide - Organic cation - 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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