Structure Information
Structure

Compound Identification

SMILES

CC(=O)C1=NN(C2=CC=C(C=C2)[N+]([O-])=O)C2(S1)N(N=C(C1=CC=C(C)C=C1)C1=CC=CC=C21)C1=CC=CC=C1

InChIKey

InChIKey=OTXKOWCSBFGVDN-UHFFFAOYSA-N

Formula

C30H23N5O3S

Mass

533.61

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazanaphthalenes

Subclass

Benzodiazines

Intermediate Tree Nodes

Not available

Direct Parent

Phthalazines

Alternative Parents

Nitrobenzenes Nitroaromatic compounds Toluenes Thiadiazolines Ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrazones Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phthalazine - Nitrobenzene - Nitroaromatic compound - Toluene - Monocyclic benzene moiety - Benzenoid - Thiadiazoline - Ketone - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Hydrazone - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carbonyl group - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic salt - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phthalazines. These are compounds containing a phthalazine moiety, which consists of a benzene ring fused to a pyridazine, forming a 2,3-benzodiazine skeleton.

External Descriptors

Not available

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