Compound Identification
SMILES
NC1=NC(=CN1C1=C(NC(O)=O)C=CC(=C1)C(O)=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=CJWHMEWWUIRAPR-UHFFFAOYSA-N
Formula
C17H13ClN4O4
Mass
372.77
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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Subclass
Imidazoles
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Level 5
Substituted imidazoles
- Level 6 Phenylimidazoles
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Level 5
Substituted imidazoles
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Subclass
Imidazoles
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Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Imidazoles
Intermediate Tree Nodes
Substituted imidazoles
Direct Parent
Phenylimidazoles
Alternative Parents
Phenylcarbamic acids Benzoic acids 1,2,4-trisubstituted imidazoles Imidazolyl carboxylic acids and derivatives Benzoyl derivatives Chlorobenzenes Aminoimidazoles N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Amino acids Carbamic acids Azacyclic compounds Carboxylic acids Primary amines Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylimidazole - 4-phenylimidazole - 1-phenylimidazole - Phenylcarbamic acid - Benzoic acid or derivatives - Benzoic acid - 1,2,4-trisubstituted-imidazole - Benzoyl - Imidazolyl carboxylic acid derivative - Trisubstituted imidazole - Chlorobenzene - Halobenzene - Aminoimidazole - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Carbamic acid - Carbamic acid derivative - Azacycle - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Primary amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Amine - Carbonyl group - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
External Descriptors
Not available