Compound Identification
SMILES
CC1=NN(C(=O)\C1=N\NC1=CC=CC=C1C(O)=O)C1=NC(=CS1)C1=[N+](NOC1=O)C1=CC=CC=C1
InChIKey
InChIKey=IPWRGHWDHJSNST-UHFFFAOYSA-O
Formula
C22H16N7O5S
Mass
490.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acids
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids
Alternative Parents
Phenylhydrazines Benzoyl derivatives 2,4-disubstituted thiazoles Pyrazolones Vinylogous amides Heteroaromatic compounds 1,2,3-oxadiazoles Oxacyclic compounds Hydrazones Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid - Benzoyl - Phenylhydrazine - 2,4-disubstituted 1,3-thiazole - Pyrazolinone - Azole - Heteroaromatic compound - Oxadiazole - Pyrazoline - Vinylogous amide - 1,2,3-oxadiazole - Thiazole - Carboxylic acid derivative - Carboxylic acid - Hydrazone - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors
Not available