Compound Identification
SMILES
CCOCCCN(CC(=O)N(CCC1=CC(OC)=C(OC)C=C1)CC1=CC=CS1)C(=O)C1=CC(=C(Cl)C=C1)[N+]([O-])=O
InChIKey
InChIKey=NMZHPZBEVUSTPE-UHFFFAOYSA-N
Formula
C29H34ClN3O7S
Mass
604.12
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
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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
Dimethoxybenzenes Alpha amino acids and derivatives 4-halobenzoic acids and derivatives Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Anisoles Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Tertiary carboxylic acid amides Thiophenes Heteroaromatic compounds Organic oxoazanium compounds Dialkyl ethers Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - Alpha-amino acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Nitrobenzene - Anisole - Benzoyl - Phenoxy compound - Nitroaromatic compound - Phenol ether - Methoxybenzene - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl halide - Aryl chloride - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Organic nitro compound - Carboxamide group - C-nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Dialkyl ether - Ether - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic salt - Organic zwitterion - Organic oxide - Organic nitrogen compound - Organohalogen compound - Carbonyl group - 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