Compound Identification
SMILES
COC1=C(OC)C=C(CCN(CC2=CC=C(C)S2)C(=O)CN(C(C)C)C(=O)C2=C(Cl)C=C(C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=ABPSGDNHKHCFBE-UHFFFAOYSA-N
Formula
C28H32ClN3O6S
Mass
574.09
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
-
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
2-halobenzoic acids and derivatives Alpha amino acids and derivatives Dimethoxybenzenes Nitrobenzenes Anisoles Benzoyl derivatives Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers Chlorobenzenes 2,5-disubstituted thiophenes Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Vinylogous halides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Alpha-amino acid or derivatives - Nitrobenzene - Phenol ether - Methoxybenzene - Benzoyl - Anisole - Nitroaromatic compound - Phenoxy compound - Chlorobenzene - Halobenzene - Alkyl aryl ether - 2,5-disubstituted thiophene - Aryl halide - Aryl chloride - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiophene - Vinylogous halide - Organic nitro compound - C-nitro compound - Carboxamide group - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organic salt - Organochloride - 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