Compound Identification
SMILES
CC(C)(C)C1=NN(C(NC(=O)CN(CC2=CC=CC=C2)C(=O)C2=CC=C(C=C2)[N+]([O-])=O)=C1)C1=CC(Cl)=C(Cl)C=C1
InChIKey
InChIKey=YJXQCZKFQXBORP-UHFFFAOYSA-N
Formula
C29H27Cl2N5O4
Mass
580.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
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
Phenylpyrazoles Alpha amino acids and derivatives Nitrobenzenes Benzoyl derivatives Dichlorobenzenes N-arylamides Nitroaromatic compounds Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - Phenylpyrazole - Alpha-amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - N-arylamide - Benzoyl - 1,2-dichlorobenzene - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Pyrazole - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic 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