Compound Identification
SMILES
OC1(CC(=NN1C(=O)CNC1=CC=CC=C1)C1=CC=C(S1)[N+]([O-])=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=USVXAQBVEVACTC-UHFFFAOYSA-N
Formula
C21H17ClN4O4S
Mass
456.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid amides
-
Level 6
Alpha amino acids and derivatives
-
Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Alpha amino acid amides
Alternative Parents
2-nitrothiophenes Phenylalkylamines Aniline and substituted anilines Nitroaromatic compounds Secondary alkylarylamines 2,5-disubstituted thiophenes Chlorobenzenes Aryl chlorides Pyrazolines Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Alkanolamines Azacyclic compounds Organic oxoazanium compounds Organochlorides Organic salts Carbonyl compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid amide - 2-nitrothiophene - Nitrothiophene - Nitroaromatic compound - Aniline or substituted anilines - Phenylalkylamine - 2,5-disubstituted thiophene - Secondary aliphatic/aromatic amine - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Pyrazoline - Thiophene - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Alkanolamine - Organic oxoazanium - Organic salt - Organochloride - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
External Descriptors
Not available