Structure Information
Structure

Compound Identification

SMILES

NC1=C(Cl)C=C(Cl)C=C1C(=O)OCC1=CC(=O)OC2=C1C1=CC=CC=C1C=C2

InChIKey

InChIKey=QPOJTHTXPYUZQO-UHFFFAOYSA-N

Formula

C21H13Cl2NO4

Mass

414.24

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Naphthopyrans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Naphthopyrans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Naphthopyran - Coumarin - Aminobenzoic acid or derivatives - Benzoate ester - Benzopyran - Naphthalene - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1-benzopyran - Benzoic acid or derivatives - Benzoyl - 1,3-dichlorobenzene - Aniline or substituted anilines - Pyranone - Chlorobenzene - Halobenzene - Pyran - Primary aromatic amine - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Vinylogous amide - Heteroaromatic compound - Lactone - Amino acid or derivatives - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as naphthopyrans. These are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.

External Descriptors

Not available

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