Compound Identification
SMILES
CCOC(=O)C1=CC(=C(CSC2=CC=C(OC)C=C2)C=C1)[N+]([O-])=O
InChIKey
InChIKey=AXOGUGJLSGWIRI-UHFFFAOYSA-N
Formula
C17H17NO5S
Mass
347.39
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
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 Anisoles Thiophenol ethers Benzoyl derivatives Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Carboxylic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Nitrobenzene - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Thiophenol ether - Alkyl aryl ether - Alkylarylthioether - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Ether - 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 - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - 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