Compound Identification
SMILES
COC1=CC([C@H]2CCCN2CC(=O)NC2=C(C=CC(Cl)=C2)[N+]([O-])=O)=C(OC)C=C1
InChIKey
InChIKey=JKOQAMDYQOVNGG-QGZVFWFLSA-N
Formula
C20H22ClN3O5
Mass
419.86
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 amides
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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 amides
Alternative Parents
Phenylpyrrolidines Dimethoxybenzenes Anilides Nitrobenzenes N-arylamides Nitroaromatic compounds Phenoxy compounds Anisoles Chlorobenzenes Alkyl aryl ethers Aralkylamines Aryl chlorides N-alkylpyrrolidines Pyrroles Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid amide - 2-phenylpyrrolidine - P-dimethoxybenzene - Dimethoxybenzene - Nitrobenzene - Anilide - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - N-arylamide - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - N-alkylpyrrolidine - Pyrrolidine - Pyrrole - Organic nitro compound - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - C-nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Ether - Organic oxoazanium - Amine - Organic salt - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - 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