Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=CC(=C1)C1=CC=C(O1)\C=C(/C#N)C1=NN=C(N1C1=CC=CC=C1)N1CCOCC1

InChIKey

InChIKey=LJGRXBVWPVYCKK-KNTRCKAVSA-N

Formula

C25H20N6O4

Mass

468.473

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Triazoles

Intermediate Tree Nodes

Phenyltriazoles

Direct Parent

Phenyl-1,2,4-triazoles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenyl-1,2,4-triazole - Nitrobenzene - Nitroaromatic compound - Dialkylarylamine - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Furan - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Dialkyl ether - Ether - Carbonitrile - Nitrile - Organic oxoazanium - Oxacycle - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Cyanide - Organic salt - Organic nitrogen compound - Amine - Organic oxide - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.

External Descriptors

Not available

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