Structure Information
Structure

Compound Identification

SMILES

CC1(C)OC2=C(C=C(C=C2)C#N)[C@@H](N=C(NC#N)NC2=CC(=CC=C2)[N+]([O-])=O)[C@@H]1O

InChIKey

InChIKey=FBLWKYWZJNCUGD-MSOLQXFVSA-N

Formula

C20H18N6O4

Mass

406.402

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzopyrans

Subclass

1-benzopyrans

Intermediate Tree Nodes

Not available

Direct Parent

2,2-dimethyl-1-benzopyrans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2,2-dimethyl-1-benzopyran - Nitrobenzene - Nitroaromatic compound - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Guanidine - C-nitro compound - Secondary alcohol - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Organic 1,3-dipolar compound - Ether - Carboximidamide - Carbonitrile - Nitrile - Organic oxoazanium - Hydrocarbon derivative - Organonitrogen compound - Cyanide - Organic nitrogen compound - Organooxygen compound - Alcohol - Organic oxide - Organic zwitterion - Organic salt - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position.

External Descriptors

Not available

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