Compound Identification
SMILES
CCOC(=O)C1=CC(=C(CSC2=CC=C(N)C=C2)C=C1)[N+]([O-])=O
InChIKey
InChIKey=ALZQMDUUHNKVBK-UHFFFAOYSA-N
Formula
C16H16N2O4S
Mass
332.37
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
Benzoic acid esters Nitrobenzenes Aniline and substituted anilines Thiophenol ethers Benzoyl derivatives Nitroaromatic compounds Alkylarylthioethers Amino acids and derivatives Carboxylic acid esters Organic oxoazanium compounds Sulfenyl compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Primary amines
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Benzoyl - Thiophenol ether - Aniline or substituted anilines - Alkylarylthioether - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Sulfenyl compound - Organic 1,3-dipolar compound - Thioether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organonitrogen compound - Amine - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Primary amine - Hydrocarbon derivative - Aromatic homomonocyclic 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