Structure Information
Structure

Compound Identification

SMILES

COC1=CC2=C(C=C1)C=C(C(=O)NNC(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(=O)O2

InChIKey

InChIKey=VCWQQTDVYIMEOL-UHFFFAOYSA-N

Formula

C18H13N3O7

Mass

383.316

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Coumarins and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coumarin - Benzopyran - 1-benzopyran - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Anisole - Benzoyl - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Organic nitro compound - Carboxylic acid hydrazide - C-nitro compound - Lactone - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Oxacycle - Ether - Organic salt - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).

External Descriptors

Not available

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