Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(\C=C(/NC(=O)C2=CC=CC=C2Br)C(=O)OCN2C(=O)C3=CC=CC=C3C2=O)=C1
InChIKey
InChIKey=HCUCJOGFDSHQDI-BKUYFWCQSA-N
Formula
C25H16BrN3O7
Mass
550.321
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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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
N-acyl-alpha amino acids and derivatives Cinnamic acid esters Phthalimides 2-halobenzoic acids and derivatives Isoindoles Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Bromobenzenes Fatty acid esters Aryl bromides N-substituted carboxylic acid imides Vinylogous halides Enoate esters Secondary carboxylic acid amides Tertiary amines Organic oxoazanium compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic salts Hydrocarbon derivatives Organobromides Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Cinnamic acid ester - Cinnamic acid or derivatives - Phthalimide - Alpha-amino acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Isoindolone - Isoindoline - Isoindole - Isoindole or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Bromobenzene - Halobenzene - Fatty acid ester - Aryl bromide - Carboxylic acid imide, n-substituted - Aryl halide - Fatty acyl - Vinylogous halide - Carboxylic acid imide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - C-nitro compound - Organic nitro compound - Amino acid or derivatives - Tertiary amine - 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 - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic salt - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organic nitrogen compound - Organohalogen compound - Amine - Organic cation - 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