Compound Identification
SMILES
COC1=CC=CC=C1\C(Br)=C(/NC(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(=O)N1CCCCC1
InChIKey
InChIKey=OQIUTYABZMBBME-FMQUCBEESA-N
Formula
C22H22BrN3O5
Mass
488.338
Taxonomic Classification
Taxonomy Tree
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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 Coumaric acids and derivatives Alpha amino acid amides N-acylpiperidines Nitrobenzenes Methoxybenzenes Nitroaromatic compounds Benzoyl derivatives Anisoles Phenoxy compounds Alkyl aryl ethers Vinylogous halides Tertiary carboxylic acid amides Secondary carboxylic acid amides Organic oxoazanium compounds Bromoalkenes Azacyclic compounds Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Coumaric acid or derivatives - Cinnamic acid or derivatives - Alpha-amino acid or derivatives - Nitrobenzene - N-acyl-piperidine - Phenol ether - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - Methoxybenzene - Alkyl aryl ether - Piperidine - Tertiary carboxylic acid amide - Vinylogous halide - Secondary carboxylic acid amide - Organic nitro compound - Carboxamide group - C-nitro compound - Azacycle - Bromoalkene - Carboxylic acid derivative - Haloalkene - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Vinyl halide - Vinyl bromide - Organic salt - Carbonyl group - Organic oxygen compound - Organic oxide - Organic zwitterion - Organohalogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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