Compound Identification
SMILES
CC(=O)N(C1=NC(COC(=O)C2=CC(=C(N)C=C2)[N+]([O-])=O)=CS1)C1=CC=CC=C1F
InChIKey
InChIKey=YIHDDKYCEWNGNO-UHFFFAOYSA-N
Formula
C19H15FN4O5S
Mass
430.41
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
O-haloacetanilides Benzoic acid esters Aminobenzoic acids and derivatives Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Aniline and substituted anilines Fluorobenzenes 2,4-disubstituted thiazoles Aryl fluorides Acetamides Heteroaromatic compounds Tertiary carboxylic acid amides Tertiary amines Carboxylic acid esters Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organofluorides Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - O-haloacetanilide - Haloacetanilide - Benzoate ester - Aminobenzoic acid or derivatives - Acetanilide - Nitrobenzene - Anilide - Aniline or substituted anilines - Nitroaromatic compound - Benzoyl - Fluorobenzene - Halobenzene - 2,4-disubstituted 1,3-thiazole - Aryl halide - Aryl fluoride - Azole - Thiazole - Acetamide - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Tertiary amine - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic salt - Organooxygen compound - Amine - Primary amine - Organic oxygen compound - Organofluoride - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organohalogen compound - 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