Compound Identification
SMILES
COCCN(CC(=O)N(CC1=CC=CC=C1)CC1=COC2=C(C=C(C)C=C2)C1=O)C(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=UGJYHHINUBFGMY-UHFFFAOYSA-N
Formula
C30H29N3O7
Mass
543.576
Taxonomic Classification
Taxonomy Tree
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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
-
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
Chromones Alpha amino acids and derivatives Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Pyranones and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organic salts Carbonyl compounds Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - Chromone - Alpha-amino acid or derivatives - Benzopyran - 1-benzopyran - Nitrobenzene - Nitroaromatic compound - Benzoyl - Pyranone - Pyran - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxide - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic zwitterion - 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