Compound Identification
SMILES
COC(=O)[C@H](OC(=O)C1=CC=C(C=C1)[N+]([O-])=O)[C@H]1OC(C)(C)O[C@@H]1[C@H](O)CO
InChIKey
InChIKey=RGWCTBNXYGFYBI-YIYPIFLZSA-N
Formula
C17H21NO10
Mass
399.352
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 Ketals Dicarboxylic acids and derivatives Methyl esters 1,3-dioxolanes 1,2-diols Secondary alcohols Organic oxoazanium compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Organic salts Organic oxides Organopnictogen compounds Primary alcohols Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Nitrobenzene - Nitroaromatic compound - Benzoyl - Ketal - Dicarboxylic acid or derivatives - Meta-dioxolane - Methyl ester - 1,2-diol - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Secondary alcohol - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic oxide - Carbonyl group - 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