Compound Identification
SMILES
COC(=O)CC(CC(=O)OC)N1C=C(NC(=O)C2=C(Cl)C=C(F)C=C2)C=N1
InChIKey
InChIKey=VVZGQKGRDBVGQE-UHFFFAOYSA-N
Formula
C17H17ClFN3O5
Mass
397.79
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
2-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Chlorobenzenes Fatty acid methyl esters Fluorobenzenes Aryl fluorides Aryl chlorides Dicarboxylic acids and derivatives Methyl esters Heteroaromatic compounds Vinylogous halides Pyrazoles Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organochlorides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Fluorobenzene - Halobenzene - Fatty acid ester - Fatty acid methyl ester - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Fatty acyl - Dicarboxylic acid or derivatives - Azole - Heteroaromatic compound - Vinylogous halide - Pyrazole - Methyl ester - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available