Compound Identification
SMILES
CN1N=NN=C1SC1=C(C=C(C=C1)[N+]([O-])=O)C(=O)OCC1=CC=C(C)C=C1
InChIKey
InChIKey=OSBYQILQPODQHP-UHFFFAOYSA-N
Formula
C17H15N5O4S
Mass
385.4
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
Diarylthioethers O-sulfanylbenzoic acids and derivatives Benzyloxycarbonyls Benzoic acid esters Nitrobenzenes Nitroaromatic compounds Thiophenol ethers Benzoyl derivatives Toluenes Vinylogous thioesters Heteroaromatic compounds Tetrazoles Carboxylic acid esters Organic oxoazanium compounds Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Diarylthioether - Benzoate ester - Benzyloxycarbonyl - O-sulfanylbenzoic acid or derivatives - Nitrobenzene - Benzoyl - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Toluene - Vinylogous thioester - Heteroaromatic compound - Azole - Tetrazole - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Thioether - Sulfenyl compound - Organic oxygen compound - Organic oxide - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - 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