Compound Identification
SMILES
CN1N=NN=C1SC1=C(C=C(C=C1)[N+]([O-])=O)C(=O)OCC1=CC=CC=C1F
InChIKey
InChIKey=GCVOEOKVGYZMDM-UHFFFAOYSA-N
Formula
C16H12FN5O4S
Mass
389.36
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 Benzoic acid esters Benzyloxycarbonyls O-sulfanylbenzoic acids and derivatives Nitrobenzenes Thiophenol ethers Benzoyl derivatives Nitroaromatic compounds Fluorobenzenes Vinylogous thioesters Aryl fluorides Tetrazoles Heteroaromatic compounds Carboxylic acid esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives Organic salts Organofluorides Organonitrogen compounds Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Diarylthioether - Benzoate ester - Benzyloxycarbonyl - O-sulfanylbenzoic acid or derivatives - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Benzoyl - Thiophenol ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous thioester - Azole - Heteroaromatic compound - Tetrazole - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic oxygen compound - Organosulfur compound - Organic salt - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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