Compound Identification
SMILES
CCOC1=CC=C(CN(CCC2=CNC3=CC=CC=C23)C(=O)CN(C2CC2)C(=O)C2=C(Cl)C=C(C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=FAFBDMBTBKQVIH-UHFFFAOYSA-N
Formula
C31H31ClN4O5
Mass
575.06
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
2-halobenzoic acids and derivatives 3-alkylindoles Alpha amino acids and derivatives Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Phenol ethers Phenoxy compounds Alkyl aryl ethers Chlorobenzenes Substituted pyrroles Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Vinylogous halides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic salts Carbonyl compounds Organic zwitterions Organochlorides Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Substituted pyrrole - Vinylogous halide - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic zwitterion - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organooxygen compound - Organochloride - 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