Compound Identification
SMILES
COc1ccc(NC(=O)C(\NC(=O)c2cc(ccc2Cl)[N+]([O-])=O)=C/c2ccc(cc2)N(CCC#N)CCC#N)cc1
InChIKey
InChIKey=XXCJOKJQHIQDTH-OVVQPSECSA-N
Formula
C29H25ClN6O5
Mass
573.01
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
N-acyl-alpha amino acids and derivatives Cinnamic acid amides Alpha amino acid amides 2-halobenzoic acids and derivatives Methoxyanilines Nitrobenzenes Anilides Benzoyl derivatives Dialkylarylamines Anisoles Methoxybenzenes N-arylamides Nitroaromatic compounds Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Vinylogous halides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Nitriles Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic zwitterions Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Cinnamic acid or derivatives - Cinnamic acid amide - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Nitrobenzene - Methoxyaniline - Anilide - Phenol ether - Phenoxy compound - Tertiary aliphatic/aromatic amine - Nitroaromatic compound - Anisole - Aniline or substituted anilines - Dialkylarylamine - Benzoyl - Methoxybenzene - N-arylamide - Chlorobenzene - Alkyl aryl ether - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Amino acid or derivatives - Organic nitro compound - Carboxamide group - Tertiary amine - C-nitro compound - Secondary carboxylic acid amide - Organic oxoazanium - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Nitrile - Carbonitrile - Organic oxygen compound - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organopnictogen compound - Amine - Organochloride - Organic oxide - Organic zwitterion - Organooxygen 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