Structure Information
Structure

Compound Identification

SMILES

CN(C)CCN1C2=C(S[C@@H]([C@H](OC(=O)C3=CC=C(C=C3)[N+]([O-])=O)C1=O)C1=CC=C(C)C=C1)C=C(C)C=C2

InChIKey

InChIKey=CTJGIVCJQPZKBG-IZZNHLLZSA-N

Formula

C28H29N3O5S

Mass

519.62

Export to:

JSON SDF CSV

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 heteropolycyclic compounds

Substituents

Nitrobenzoate - Benzothiazepine - Benzoate ester - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Benzoyl - Toluene - Alkylarylthioether - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactam - C-nitro compound - Tertiary amine - Organic nitro compound - Tertiary aliphatic amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic oxoazanium - Azacycle - Thioether - Carboxylic acid derivative - Organic salt - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic zwitterion - Organooxygen compound - Organic oxide - Carbonyl group - Aromatic heteropolycyclic 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

Previous Back Next