Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C(=O)NCC(=O)NN=CC1=CC(=C(Cl)C=C1)[N+]([O-])=O
InChIKey
InChIKey=OVZHZLYPTFZDMT-UHFFFAOYSA-N
Formula
C18H17ClN4O6
Mass
420.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
-
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
N-acyl-alpha amino acids and derivatives Dimethoxybenzenes Nitrobenzenes Anisoles Benzoyl derivatives Phenoxy compounds Nitroaromatic compounds Alkyl aryl ethers Chlorobenzenes Aryl chlorides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Organochlorides Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Benzoyl - Anisole - Methoxybenzene - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl halide - Aryl chloride - Carboxamide group - Secondary carboxylic acid amide - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organic salt - Organohalogen compound - 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