Compound Identification
SMILES
CN1C(SCCOC2=CC=C(C=C2)C(O)=O)=NC=C1[N+]([O-])=O
InChIKey
InChIKey=NHZHZDRYPDLGOQ-UHFFFAOYSA-N
Formula
C13H13N3O5S
Mass
323.32
Taxonomic Classification
Taxonomy Tree
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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
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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
1,2,5-trisubstituted imidazoles Phenoxy compounds Phenol ethers Benzoyl derivatives Imidazolyl carboxylic acids and derivatives Nitroimidazoles Nitroaromatic compounds Alkyl aryl ethers Alkylarylthioethers N-substituted imidazoles Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic zwitterions Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid - 1,2,5-trisubstituted-imidazole - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Trisubstituted imidazole - Benzoyl - Phenol ether - Nitroimidazole - Imidazolyl carboxylic acid derivative - Alkyl aryl ether - Alkylarylthioether - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Thioether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic oxide - Hydrocarbon derivative - 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