Structure Information
Structure

Compound Identification

SMILES

[Fe].OC(=O)C1=CC=C(C=C1)[N+]([O-])=O.CC(C)C1=NN([B-](N2N=C(C=C2C(C)C)C(C)C)N2N=C(C=C2C(C)C)C(C)C)C(=C1)C(C)C

InChIKey

InChIKey=IRQYMSKYQVHAOX-UHFFFAOYSA-N

Formula

C34H50BFeN7O4

Mass

687.47

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

Nitrobenzoate - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Azole - Heteroaromatic compound - Pyrazole - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic metalloid salt - Organic oxoazanium - Organic transition metal salt - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.

External Descriptors

Not available

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