Structure Information
Structure

Compound Identification

SMILES

CCOC1=CC=C(CN(CCC2=CNC3=CC=CC=C23)C(=O)CN(C2CC2)C(=O)C2=C(Cl)C=C(C=C2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=FAFBDMBTBKQVIH-UHFFFAOYSA-N

Formula

C31H31ClN4O5

Mass

575.06

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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

Benzamides

Direct Parent

Hippuric acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Hippuric acid or derivatives - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Substituted pyrrole - Vinylogous halide - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic zwitterion - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organooxygen compound - Organochloride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.

External Descriptors

Not available

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