Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=CC(=O)C2=CC=NC=C2)C2=C(N1)C=CC(OCC1=CC=C(C=C1)C(O)=O)=C2

InChIKey

InChIKey=MCPIULLMTHRQRR-UHFFFAOYSA-N

Formula

C25H20N2O4

Mass

412.445

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Indoles and derivatives

Subclass

Indoles

Intermediate Tree Nodes

Not available

Direct Parent

Indoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Indole - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Phenol ether - Aryl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Pyridine - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Enone - Acryloyl-group - Alpha,beta-unsaturated ketone - Ketone - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.

External Descriptors

Not available

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