Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC2=C1C(=O)N(CC(=O)OCC(=O)NC1=C(C=CS1)C#N)C2=O
InChIKey
InChIKey=FQHKVBYAFACONM-UHFFFAOYSA-N
Formula
C17H10N4O7S
Mass
414.35
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
-
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
Indolyl carboxylic acids and derivatives Phthalimides Indoles Isoindoles Nitroaromatic compounds N-arylamides Benzenoids N-substituted carboxylic acid imides Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organic salts Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Indolyl carboxylic acid derivative - Phthalimide - Isoindolone - Indole - Isoindoline - Isoindole - Isoindole or derivatives - Nitroaromatic compound - N-arylamide - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Heteroaromatic compound - Thiophene - Carboxamide group - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Nitrile - Carbonitrile - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic 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