Compound Identification
SMILES
[3H]C(SSC1=CC(C(O)=O)=C(C=C1)[N+]([O-])=O)C1=CC=C(C=C1)C1(N=N1)C(F)(F)F
InChIKey
InChIKey=JNOFGCRYEHNNRG-WTRHXODISA-N
Formula
C16H10F3N3O4S2
Mass
431.4
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
M-sulfanylbenzoic acids Benzoic acids Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Organic disulfides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids Organic oxoazanium compounds Diazirines Alkyl fluorides Hydrocarbon derivatives Organic oxides Organic salts Organofluorides Organonitrogen compounds Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - M-sulfanylbenzoic acid or derivatives - M-sulfanylbenzoic acid - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Organic disulfide - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Sulfenyl compound - Diazirine - Organoheterocyclic compound - Azacycle - Carboxylic acid - Organic oxoazanium - Carboxylic acid derivative - Alkyl fluoride - Alkyl halide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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