Compound Identification
SMILES
COC1=CC=CC=C1N=NC1C(C)=NN(C1=O)C1=NC(=CS1)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=VUMZSHQKPUDQCA-UHFFFAOYSA-N
Formula
C20H16N6O4S
Mass
436.45
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
Methoxyanilines Nitrobenzenes Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes 2,4-disubstituted thiazoles Alkyl aryl ethers Pyrazolones Heteroaromatic compounds Azo compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Nitrobenzene - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Monocyclic benzene moiety - Pyrazolinone - Benzenoid - Azole - Heteroaromatic compound - Pyrazoline - Thiazole - Azo compound - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Ether - Organic oxoazanium - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic zwitterion - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic salt - Organic oxide - Hydrocarbon derivative - 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