Structure Information
Structure

Compound Identification

SMILES

CN1N(C(=O)C(=C1C)[N+](C)(C)C)C1=CC=CC=C1.[O-]C1=NC(=O)CN1\N=C\C1=CC=C(O1)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=BJNKNQKJYYSWII-HAZZGOGXSA-M

Formula

C28H29N7O6

Mass

559.583

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Pyrazoles

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrazoles

Alternative Parents

Alpha amino acids and derivatives Nitrobenzenes Nitroaromatic compounds Pyrazolones Imidazolinones Vinylogous amides Furans Heteroaromatic compounds N-acylimines Lactams Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Amines Carbonyl compounds Organic oxides Organic salts

Molecular Framework

Not available

Substituents

Phenylpyrazole - Alpha-amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Imidazolinone - Pyrazolinone - Benzenoid - Furan - 2-imidazoline - Heteroaromatic compound - Vinylogous amide - Lactam - C-nitro compound - Organic nitro compound - N-acylimine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Oxacycle - Organic oxoazanium - Azacycle - Organic oxygen compound - Amine - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Carbonyl group - Organic zwitterion - Organic salt - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.

External Descriptors

Not available

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