Compound Identification
SMILES
COC1=C(C=C(C=NNC(=O)C(NC(=O)C2=C(Cl)C=C(Cl)C=C2)C(C)C)C=C1)[N+]([O-])=O
InChIKey
InChIKey=CZVQSVWTXHVCEH-UHFFFAOYSA-N
Formula
C20H20Cl2N4O5
Mass
467.3
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
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Level 5
Benzamides
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Subclass
Benzoic acids and derivatives
-
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
Benzamides
Direct Parent
Hippuric acids and derivatives
Alternative Parents
Valine and derivatives N-acyl-alpha amino acids and derivatives Nitrophenyl ethers 4-halobenzoic acids and derivatives 2-halobenzoic acids and derivatives Methoxyanilines Dichlorobenzenes Benzoyl derivatives Methoxybenzenes Nitroaromatic compounds Anisoles Phenoxy compounds Alkyl aryl ethers Aryl chlorides Vinylogous halides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Valine or derivatives - Nitrophenyl ether - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Methoxyaniline - Nitrobenzene - Methoxybenzene - Benzoyl - 1,3-dichlorobenzene - Phenoxy compound - Anisole - Nitroaromatic compound - Phenol ether - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl halide - Aryl chloride - Vinylogous halide - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - C-nitro compound - Organic oxoazanium - Carboxylic acid derivative - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Ether - Propargyl-type 1,3-dipolar organic compound - Organochloride - Organic zwitterion - Organic oxide - Organic oxygen compound - Carbonyl group - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available