Compound Identification
SMILES
CO[C@H]1O[C@H](COC(=O)C2=CC=C(C=C2)[N+]([O-])=O)[C@H]([C@H]1OC(=O)C1=CC=C(C=C1)[N+]([O-])=O)N(C)C(C)=O
InChIKey
InChIKey=CWNJDMWXIIQKRV-URFJDIBFSA-N
Formula
C23H23N3O11
Mass
517.447
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
Benzoic acid esters Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Dicarboxylic acids and derivatives Monosaccharides Tertiary carboxylic acid amides Acetamides Oxolanes Carboxylic acid esters Organic oxoazanium compounds Acetals Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organic salts Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organopnictogen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Dicarboxylic acid or derivatives - Monosaccharide - Oxolane - Tertiary carboxylic acid amide - Acetamide - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Organic oxoazanium - Acetal - Carbonyl group - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organic oxygen 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