Compound Identification
SMILES
COC1=C(C(=O)N2CCCN2C(=O)CCNC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C(OC)=C(Cl)C=C1
InChIKey
InChIKey=YXNJQDRYJCAJND-UHFFFAOYSA-N
Formula
C22H23ClN4O7
Mass
490.9
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
-
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
-
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
3-halobenzoic acids and derivatives Dimethoxybenzenes Benzamides Nitrobenzenes Anisoles Benzoyl derivatives Nitroaromatic compounds Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Pyrazolidines Secondary carboxylic acid amides Carboxylic acid hydrazides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Dimethoxybenzene - M-dimethoxybenzene - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Nitrobenzene - Benzoic acid or derivatives - Benzamide - Phenoxy compound - Benzoyl - Nitroaromatic compound - Methoxybenzene - Phenol ether - Anisole - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Pyrazolidine - Organic nitro compound - Carboxamide group - Carboxylic acid hydrazide - C-nitro compound - Secondary carboxylic acid amide - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Carbonyl group - Organochloride - Organic salt - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organic oxide - Organic zwitterion - Organohalogen 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