Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)C(=O)OCC1SC(Br)C(OC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C1OC(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=ALVIEEFOJRTICK-UHFFFAOYSA-N
Formula
C26H18BrN3O12S
Mass
676.4
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
Benzoic acid esters Tricarboxylic acids and derivatives Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Thiolanes Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organobromides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Alkyl bromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Nitrobenzene - Tricarboxylic acid or derivatives - Nitroaromatic compound - Benzoyl - Thiolane - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxoazanium - Thioether - Dialkylthioether - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Alkyl bromide - Organopnictogen compound - Organic oxide - 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