Structure Information
Structure

Compound Identification

SMILES

C[NH+]1CC[NH+](CCCNC2=C(C(=O)OC3=CC=CC=C23)[N+]([O-])=O)CC1

InChIKey

InChIKey=JKTMNPGWRZOVJZ-UHFFFAOYSA-P

Formula

C17H24N4O4

Mass

348.402

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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 - Nitroaromatic compound - Secondary aliphatic/aromatic amine - N-methylpiperazine - N-alkylpiperazine - Pyranone - Pyran - Benzenoid - 1,4-diazinane - Piperazine - Vinylogous amide - Quaternary ammonium salt - Heteroaromatic compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - C-nitro compound - Lactone - Oxacycle - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Secondary amine - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organic oxide - Organic cation - 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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