Compound Identification
SMILES
OC1=CC=CC=C1CNC1=CC=C(SCC(=O)NC2=CC(=CC=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=CLAOTPANAOUBHZ-UHFFFAOYSA-N
Formula
C21H19N3O4S
Mass
409.46
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Phenylmethylamines
- Level 5 Phenylbenzamines
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Subclass
Phenylmethylamines
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylmethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbenzamines
Alternative Parents
Anilides Nitrobenzenes Thiophenol ethers Aniline and substituted anilines Benzylamines N-arylamides Nitroaromatic compounds Phenylalkylamines 1-hydroxy-2-unsubstituted benzenoids Alkylarylthioethers 1-hydroxy-4-unsubstituted benzenoids Secondary alkylarylamines Amino acids and derivatives Secondary carboxylic acid amides Organic oxoazanium compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylbenzamine - Nitrobenzene - Anilide - Benzylamine - Thiophenol ether - N-arylamide - Aniline or substituted anilines - Phenylalkylamine - Nitroaromatic compound - Aryl thioether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Alkylarylthioether - Phenol - Secondary aliphatic/aromatic amine - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Thioether - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organic oxide - Amine - Hydrocarbon derivative - Organic zwitterion - Organic salt - Carbonyl group - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine.
External Descriptors
Not available