Compound Identification
SMILES
CCCCN(CC)C1=CC(C)=NC(N(CC(=O)OCC)C2=C(Br)C=C(C=C2)C(C)C)=C1[N+]([O-])=O
InChIKey
InChIKey=NHJKADFIGMXHHC-UHFFFAOYSA-N
Formula
C25H35BrN4O4
Mass
535.483
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
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Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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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
Alpha amino acid esters
Alternative Parents
Alkyldiarylamines Phenylpropanes Cumenes Aniline and substituted anilines Nitroaromatic compounds Dialkylarylamines Bromobenzenes Aminopyridines and derivatives Methylpyridines Aryl bromides Imidolactams Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organobromides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Alkyldiarylamine - Cumene - Phenylpropane - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Halobenzene - Methylpyridine - Bromobenzene - Aminopyridine - Monocyclic benzene moiety - Pyridine - Aryl halide - Aryl bromide - Benzenoid - Imidolactam - Heteroaromatic compound - Carboxylic acid ester - Organic nitro compound - Tertiary amine - C-nitro compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Amine - Organic salt - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available