Compound Identification
SMILES
COC1CC(O)(CC#N)C(OC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C(COC(=O)C2=CC=C(C=C2)[N+]([O-])=O)O1
InChIKey
InChIKey=QWIFPPAVHFUIAH-UHFFFAOYSA-N
Formula
C23H21N3O11
Mass
515.431
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
Hexoses O-glycosyl compounds Benzoic acid esters Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Oxanes Dicarboxylic acids and derivatives Tertiary alcohols Carboxylic acid esters Acetals Nitriles Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organic oxides Organic zwitterions Organopnictogen compounds Hydrocarbon derivatives Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hexose monosaccharide - Nitrobenzoate - Glycosyl compound - O-glycosyl compound - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Dicarboxylic acid or derivatives - Monosaccharide - Oxane - Tertiary alcohol - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Acetal - Carboxylic acid derivative - Oxacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Alcohol - Organic salt - Organopnictogen compound - Cyanide - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic zwitterion - 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