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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazanaphthalenes
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Subclass
Benzodiazines
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Level 5
Quinazolines
- Level 6 Perimidines
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Level 5
Quinazolines
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Subclass
Benzodiazines
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Class
Diazanaphthalenes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Quinazolines
Direct Parent
Perimidines
Alternative Parents
Nitrophenyl ethers Nitrophenols Naphthalenes Methoxyphenols Methoxyanilines Phenoxy compounds Nitroaromatic compounds Methoxybenzenes Anisoles Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
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