Compound Identification
SMILES
CC1=NC(=NO1)C1=C(Cl)C2=CC=CC=C2N1C1=CC=C(CNC(=O)C2(CC2)NC(=O)C2=CC=CC(=C2)C#N)C=C1
InChIKey
InChIKey=BSTRVHTXLXHXGK-UHFFFAOYSA-N
Formula
C30H23ClN6O3
Mass
551.0
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
-
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
N-acyl-alpha amino acids and derivatives Phenylpyrroles Indoles Benzonitriles Benzoyl derivatives Aryl chlorides Cyclopropanecarboxylic acids and derivatives 1,2,4-oxadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Nitriles Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - 1-phenylpyrrole - Alpha-amino acid or derivatives - Indole or derivatives - Indole - Benzonitrile - Benzoyl - Aryl chloride - Aryl halide - Cyclopropanecarboxylic acid or derivatives - Substituted pyrrole - Heteroaromatic compound - Oxadiazole - 1,2,4-oxadiazole - Pyrrole - Azole - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Nitrile - Carbonitrile - Cyanide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic 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