Compound Identification
SMILES
CC(=O)OC1CC(OC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C(COC(=O)C2=CC=C(C=C2)[N+]([O-])=O)O1
InChIKey
InChIKey=QAXOQZLKUZSIFK-UHFFFAOYSA-N
Formula
C21H18N2O11
Mass
474.378
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 Pentoses Tricarboxylic acids and derivatives Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Tetrahydrofurans Carboxylic acid esters Acetals Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organopnictogen compounds Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Pentose monosaccharide - Nitrobenzene - Tricarboxylic acid or derivatives - Nitroaromatic compound - Benzoyl - Monosaccharide - Tetrahydrofuran - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Acetal - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Oxacycle - Carbonyl group - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen 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