Compound Identification
SMILES
[O-][N+](=O)C1=CC(C2=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C(=O)N2NC(=O)CC(=O)NC2=CC=CC=C2Cl)=C(Cl)C=C1
InChIKey
InChIKey=WNGMNKXDGMCLKZ-UHFFFAOYSA-N
Formula
C31H24Cl2N8O5
Mass
659.48
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
-
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
Anilides Nitrobenzenes Aniline and substituted anilines Nitroaromatic compounds N-arylamides Dialkylarylamines Chlorobenzenes 1,3-dicarbonyl compounds Aryl chlorides Diacylhydrazines Imidazolinones Secondary carboxylic acid amides Amidrazones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Nitriles Organochlorides Organic zwitterions Organic oxides Organic salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Nitrobenzene - Anilide - N-arylamide - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Imidazolinone - Aryl halide - Aryl chloride - Diacylhydrazine - 1,3-dicarbonyl compound - 2-imidazoline - Carboxylic acid amidrazone - Carboxamide group - Carboxylic acid hydrazide - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Tertiary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Organic zwitterion - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Amine - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Cyanide - Organohalogen compound - Organic oxide - Organochloride - Organonitrogen compound - 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