Compound Identification
SMILES
CCOC(=O)[C@H]1OC(C)(C)O[C@@H]1[C@@H](OC(=O)C1=CC=C(C=C1)[N+]([O-])=O)C1=CC=CC=C1
InChIKey
InChIKey=KSLJJFAYCFTEDR-OTWHNJEPSA-N
Formula
C22H23NO8
Mass
429.425
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
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 Benzyloxycarbonyls Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Ketals Dicarboxylic acids and derivatives 1,3-dioxolanes Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organic zwitterions Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzoate - Benzoate ester - Benzyloxycarbonyl - Nitrobenzene - Nitroaromatic compound - Benzoyl - Ketal - Dicarboxylic acid or derivatives - Meta-dioxolane - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Carbonyl group - Organic nitrogen 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