Compound Identification
SMILES
CN1C(SC2=CC(C([O-])=O)=C(C=C2)[N+]([O-])=O)=NN=C1C1=CC=CC=C1
InChIKey
InChIKey=KPJJCESLVXJSBF-UHFFFAOYSA-M
Formula
C16H11N4O4S
Mass
355.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- 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
Nitrobenzoic acids and derivatives
Alternative Parents
Diarylthioethers Phenyl-1,2,4-triazoles M-sulfanylbenzoic acids Benzoic acids Nitrobenzenes Nitroaromatic compounds Thiophenol ethers Benzoyl derivatives Heteroaromatic compounds Carboxylic acid salts Organic oxoazanium compounds Azacyclic compounds Sulfenyl compounds Carboxylic acids Organic salts Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Diarylthioether - Phenyl-1,2,4-triazole - Phenyltriazole - M-sulfanylbenzoic acid - M-sulfanylbenzoic acid or derivatives - Benzoic acid - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Benzoyl - Thiophenol ether - Azole - Heteroaromatic compound - Triazole - 1,2,4-triazole - Carboxylic acid salt - C-nitro compound - Organic nitro compound - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Thioether - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
External Descriptors
Not available