Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)C1=NC(CCNC2=C(C=C(C=C2)[N+]([O-])=O)C(O)=O)=CS1

InChIKey

InChIKey=AMASNNBSYICKAN-UHFFFAOYSA-N

Formula

C19H17N3O4S

Mass

383.42

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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 heteromonocyclic compounds

Substituents

Nitrobenzoate - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - 2,4-disubstituted 1,3-thiazole - Secondary aliphatic/aromatic amine - Toluene - Aralkylamine - Azole - Heteroaromatic compound - Thiazole - Vinylogous amide - Amino acid or derivatives - Organic nitro compound - Amino acid - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic zwitterion - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organooxygen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organic salt - Aromatic heteromonocyclic 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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