Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(=C1O)[N+]([O-])=O)C1=NC2=CC=CC3=C2C(N1)=CC=C3

InChIKey

InChIKey=DQZDLXLZAAWXBU-UHFFFAOYSA-N

Formula

C18H13N3O4

Mass

335.319

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazanaphthalenes

Subclass

Benzodiazines

Intermediate Tree Nodes

Quinazolines

Direct Parent

Perimidines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Perimidine - Nitrophenyl ether - Nitrophenol - Naphthalene - Methoxyphenol - Methoxyaniline - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Methoxybenzene - Phenol ether - Anisole - Phenol - Alkyl aryl ether - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as perimidines. These are organic compounds containing a benzene ring fused to a quinazoline ring system. They are analogues of phenalenes where two carbon atoms in exactly one ring are replaced by nitrogen atoms to form a pyrimidine.

External Descriptors

Not available

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