Compound Identification
SMILES
COC1CC(OC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C(OC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C(C)O1
InChIKey
InChIKey=MPAYVFMSSYJEOW-UHFFFAOYSA-N
Formula
C21H20N2O10
Mass
460.395
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
O-glycosyl compounds Benzoic acid esters Nitrobenzenes Nitroaromatic compounds Benzoyl derivatives Oxanes Monosaccharides Dicarboxylic acids and derivatives Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - O-glycosyl compound - Glycosyl compound - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Oxane - Monosaccharide - Dicarboxylic acid or derivatives - Organic nitro compound - C-nitro compound - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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