Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)OP(=O)(OCCONC(=O)C1=CC2=C(N=CN2CC2CCCCO2)C(F)=C1NC1=C(Cl)C=C(Br)C=C1)OC(C)(C)C

InChIKey

InChIKey=ZUFVDPPRNNBXHP-UHFFFAOYSA-N

Formula

C30H40BrClFN4O7P

Mass

734.0

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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

Halobenzoic acids and derivatives

Direct Parent

3-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-halobenzoic acid or derivatives - Benzimidazole - Trialkyl phosphate - Aniline or substituted anilines - Halobenzene - Chlorobenzene - Bromobenzene - Organic phosphoric acid derivative - N-substituted imidazole - Aryl bromide - Oxane - Phosphoric acid ester - Aryl halide - Alkyl phosphate - Aryl fluoride - Aryl chloride - Primary aromatic amine - Imidazole - Heteroaromatic compound - Vinylogous amide - Azole - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Dialkyl ether - Ether - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.

External Descriptors

Not available

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