Compound Identification
SMILES
COCCN(CCC(=O)NC1=NN=C(S1)C1=CC(Br)=CC=C1)C(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=DSMJVIDPRYFWIH-UHFFFAOYSA-N
Formula
C21H20BrN5O5S
Mass
534.39
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
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Level 5
Amino acids and derivatives
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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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Benzamides Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds N-arylamides Bromobenzenes Aryl bromides Thiadiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Nitrobenzene - Benzamide - Benzoic acid or derivatives - Nitroaromatic compound - Benzoyl - N-arylamide - Halobenzene - Bromobenzene - Monocyclic benzene moiety - Aryl bromide - Aryl halide - Benzenoid - Azole - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiadiazole - Organic nitro compound - C-nitro compound - Carboxamide group - Secondary carboxylic acid amide - Ether - Organic oxoazanium - Dialkyl ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available