Compound Identification
SMILES
COC1=CC=CC=C1NCC(=O)N\N=C\C1=C(C=CC(=C1)[N+]([O-])=O)N1CCCCCC1
InChIKey
InChIKey=BTBQKWNZYDFUJV-BUVRLJJBSA-N
Formula
C22H27N5O4
Mass
425.489
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Class
Carboxylic acids and derivatives
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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
Alpha amino acids and derivatives
Alternative Parents
Aminophenyl ethers Nitrobenzenes Methoxyanilines Phenylalkylamines Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes Dialkylarylamines Secondary alkylarylamines Alkyl aryl ethers Azepanes Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Nitrobenzene - Methoxyaniline - Aminophenyl ether - Anisole - Methoxybenzene - Tertiary aliphatic/aromatic amine - Phenylalkylamine - Aniline or substituted anilines - Dialkylarylamine - Phenol ether - Phenoxy compound - Nitroaromatic compound - Alkyl aryl ether - Azepane - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Organic nitro compound - C-nitro compound - Tertiary amine - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Ether - Organic oxoazanium - Organoheterocyclic compound - Organic salt - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available