Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC(=C(OC(F)(N2CCCC2)C(=O)C(NC2=CC=CC=C2C)C2=CC3=C(C=C2)N=CO3)C=C1)[N+]([O-])=O

InChIKey

InChIKey=QXLUUEXPRUBXKD-UHFFFAOYSA-N

Formula

C29H27FN4O7

Mass

562.554

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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

Aromatic heteropolycyclic compounds

Substituents

Nitrobenzoate - Benzoate ester - Benzoxazole - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - Aniline or substituted anilines - Phenylalkylamine - Aminotoluene - Secondary aliphatic/aromatic amine - Toluene - Aralkylamine - N-alkylpyrrolidine - Alpha-aminoketone - Alpha-haloketone - Azole - Methyl ester - Oxazole - Heteroaromatic compound - Pyrrolidine - C-nitro compound - Organic nitro compound - Ketone - Carboxylic acid ester - Amino acid or derivatives - Secondary amine - Oxacycle - Azacycle - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - Amine - Alkyl halide - Organic zwitterion - Aromatic heteropolycyclic 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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