Compound Identification
SMILES
OCC1=C(C=CC(=C1)[N+]([O-])=O)C(=O)O[C@@H]1O[C@@H]1COCC1=CC=CC=C1
InChIKey
InChIKey=SQSDORPDLUFCDE-AEFFLSMTSA-N
Formula
C18H17NO7
Mass
359.334
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 Benzylethers Nitrobenzenes Benzoyl derivatives Benzyl alcohols Nitroaromatic compounds Carboxylic acid esters Organic oxoazanium compounds Oxacyclic compounds Epoxides Dialkyl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxides Aromatic alcohols Hydrocarbon derivatives Primary alcohols Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Benzylether - Nitrobenzene - Nitroaromatic compound - Benzoyl - Benzyl alcohol - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Oxirane - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organic salt - Alcohol - Organonitrogen compound - Organooxygen compound - Primary alcohol - Aromatic alcohol - Organic zwitterion - 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