Structure Information
Structure

Compound Identification

SMILES

Cl.CC1=C(O)C2=C(C=C1)[C@H](CN)O[C@@H](C2)C1CCN(CC1)S(=O)(=O)CC1=CC=CC=C1[N+]([O-])=O

InChIKey

InChIKey=JHDNHWLKIAEXAU-VROPFNGYSA-N

Formula

C23H30ClN3O6S

Mass

512.02

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzopyrans

Subclass

2-benzopyrans

Intermediate Tree Nodes

Not available

Direct Parent

2-benzopyrans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-benzopyran - Nitrobenzene - Nitroaromatic compound - 1-hydroxy-4-unsubstituted benzenoid - Aralkylamine - Phenol - Monocyclic benzene moiety - Piperidine - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Ether - Azacycle - Oxacycle - Dialkyl ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Amine - Primary amine - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrochloride - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 2-position.

External Descriptors

Not available

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