Compound Identification
SMILES
CC(N(CC1=CC=C(C=C1)[N+]([O-])=O)S(=O)(=O)C1=CC(Cl)=C(C=C1)[N+]([O-])=O)C(=O)NO
InChIKey
InChIKey=CSBBYUZQQAEEFE-UHFFFAOYSA-N
Formula
C16H15ClN4O8S
Mass
458.83
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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 Alanine and derivatives
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Level 6
Alpha amino acids and derivatives
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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
Alanine and derivatives
Alternative Parents
Benzenesulfonamides Benzenesulfonyl compounds Nitrobenzenes Nitroaromatic compounds Chlorobenzenes Organosulfonamides Aryl chlorides Aminosulfonyl compounds Hydroxamic acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organochlorides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alanine or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organic nitro compound - Hydroxamic acid - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organosulfur compound - Organooxygen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alanine and derivatives. These are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available