Structure Information
Structure

Compound Identification

SMILES

CC1=C(OCC(=O)NN=CC2=CC=C(C=C2)N(CCCl)CCCl)C=CC2=C1OC1=CC=CC=C1C2=O

InChIKey

InChIKey=PTCAOBAXRSYQKK-UHFFFAOYSA-N

Formula

C27H25Cl2N3O4

Mass

526.41

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzopyrans

Subclass

1-benzopyrans

Intermediate Tree Nodes

Dibenzopyrans - Xanthenes

Direct Parent

Xanthones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Xanthone - Chromone - Nitrogen mustard - Phenol ether - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Ether - Carboxylic acid derivative - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Alkyl chloride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring.

External Descriptors

Not available

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