Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CN=C(OC2=CC3=C(CC(CO3)C3=CC(F)=CC=C3)C=C2)C=C1

InChIKey

InChIKey=MXJZJVWVHUGNLF-UHFFFAOYSA-N

Formula

C20H15FN2O4

Mass

366.348

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

Isoflavans

Intermediate Tree Nodes

Not available

Direct Parent

Isoflavans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoflavan - Diaryl ether - Chromane - Benzopyran - 1-benzopyran - Nitroaromatic compound - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Oxacycle - Organic nitrogen compound - Organic salt - Organohalogen compound - Organofluoride - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoflavans. These are polycyclic compounds with a structure based on the 3-phenyl-3,4-dihydro-2H-1-benzopyran skeleton.

External Descriptors

Not available

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